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Chemical Structure| 118996-38-6 Chemical Structure| 118996-38-6

Structure of 118996-38-6

Chemical Structure| 118996-38-6

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Product Details of [ 118996-38-6 ]

CAS No. :118996-38-6
Formula : C21H15NO6
M.W : 377.35
SMILES Code : O=C(O)C1=CC=C(N(C2=CC=C(C=C2)C(O)=O)C3=CC=C(C=C3)C(O)=O)C=C1
MDL No. :MFCD22123674
InChI Key :VEBUOOBGPZWCFE-UHFFFAOYSA-N
Pubchem ID :53258191

Safety of [ 118996-38-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Computational Chemistry of [ 118996-38-6 ] Show Less

Physicochemical Properties

Num. heavy atoms 28
Num. arom. heavy atoms 18
Fraction Csp3 0.0
Num. rotatable bonds 6
Num. H-bond acceptors 6.0
Num. H-bond donors 3.0
Molar Refractivity 102.0
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

115.14 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

1.89
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

3.74
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

4.25
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

3.23
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

2.02
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

3.03

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-4.62
Solubility 0.00915 mg/ml ; 0.0000242 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-5.85
Solubility 0.000533 mg/ml ; 0.00000141 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-4.83
Solubility 0.00558 mg/ml ; 0.0000148 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

No
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

No
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

Yes
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-5.95 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

0.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.56

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

0.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<2.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

2.06

Application In Synthesis of [ 118996-38-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 118996-38-6 ]

[ 118996-38-6 ] Synthesis Path-Downstream   1~35

  • 1
  • [ 124-38-9 ]
  • [ 4316-58-9 ]
  • [ 118996-38-6 ]
  • 2
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 7732-18-5 ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • [Zn4O(4,4',4''-tricarboxytriphenylamine)2]*(N,N-dimethylformamide)3(H2O)3 [ No CAS ]
  • 3
  • [ 617-84-5 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 64-17-5 ]
  • [ 118996-38-6 ]
  • [Zn4O(NTB)3]*3DEF*C2H5OH [ No CAS ]
  • 4
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 100-21-0 ]
  • [ 118996-38-6 ]
  • 4Zn(2+)*O(2-)*1.5C6H4(CO2)2(2-)*N(C6H4CO2)3(3-)=Zn4O(C6H4(CO2)2)1.5(N(C6H4CO2)3) [ No CAS ]
  • 5
  • [ 67-56-1 ]
  • [ 118996-38-6 ]
  • [ 17104-75-5 ]
  • 7
  • [ 4181-21-9 ]
  • [ 118996-38-6 ]
YieldReaction ConditionsOperation in experiment
86.6% With bromine; sodium hydroxide; In 1,4-dioxane; for 5h;Cooling with ice; 3 ml of Br2 was added dropwise to a 30 ml solution of NaOH (7 g, 0.18 mol) in an ice bath.Stir for 20 min, then pour the solution into a constant pressure dropping funnel.The mixture was gradually added dropwise to a solution of 2.0 g of 4,4',4"-triacetyltriphenylamine in 1,4-dioxane (50 ml) for 5 hours at 45 C.The mixture was then subjected to an ice bath and saturated hydroxylamine HCl was added to reduce excess sodium bromide.Acidifying the solution with hydrochloric acid,The obtained solid product was filtered and dried under vacuum.Finally, the crude product is recrystallized from acetic acid.Obtaining the pure product 4,4',4"-tricarboxytriphenylamine H3TCA,It is a white solid. Yield: 86.6%.
  • 8
  • [ 118996-38-6 ]
  • C42H38Ho4N2O22*2H2O [ No CAS ]
  • 9
  • [ 898821-86-8 ]
  • [ 118996-38-6 ]
  • C34H36N4O10Zn2 [ No CAS ]
  • 10
  • [ 1083094-73-8 ]
  • [ 118996-38-6 ]
  • C34H36N4O10Zn2 [ No CAS ]
  • 11
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 20800-00-4 ]
  • [ 7732-18-5 ]
  • [ 118996-38-6 ]
  • [Zn17O5(4,4',4''-nitrilotrisbenzoic acid)6(4,4'-nitrilodibenzoic acid)3]*41H2O}n [ No CAS ]
  • 12
  • [ 7732-18-5 ]
  • [ 118996-38-6 ]
  • [ 10108-64-2 ]
  • [Cd6(tricarboxytriphenylamine(-3H))4(H2O)2] [ No CAS ]
  • 13
  • cadmium(II) nitrate tetrhydrate [ No CAS ]
  • [ 127-19-5 ]
  • [ 118996-38-6 ]
  • [Cd3(4,4’,4’’-nitrilotrisbenzoate)2(N,N-dimethylacetamide)3]·2(N,N-dimethylacetamide) [ No CAS ]
  • 14
  • europium(III) chloride hexahydrate [ No CAS ]
  • [ 605-70-9 ]
  • [ 7732-18-5 ]
  • [ 118996-38-6 ]
  • [Eu(4,4′,4″-tricarboxytriphenylamine(-2H))(1,4-naphthalenedicarboxylic acid(-1H))*H2O]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
15% Autoclave; High pressure; H3TCA (0.019g,0.05mmol), H2NDC (0.0108g,0.05mmol) and EuCl3*6H2O (0.0732g, 0.2mmol)were dissolved in H2O (6mL),which were placed in a10 mL Teflon vessel within the autoclave. The mixture was heated at 125 C for 3 days and then cooled to room temperature at a rate of 5 C/h. Yellow block crystals of 1 were obtained (yield:15% based on EuCl3 * 6H2O). Elemental ana-lysis (%):Calcd for C33H22EuNO11: H,2.89;C,52.07;N,1.84.Found:H, 2.87;C,52.10;N,1.83.IR(KBr,cm1): 3413(s),2923(m),2530(m), 1684(s),1610(s),1404(s),1280(w),851(m),779(m),582(w).
  • 15
  • [ 605-70-9 ]
  • terbium(III) chloride hexahydrate [ No CAS ]
  • [ 7732-18-5 ]
  • [ 118996-38-6 ]
  • [Tb(4,4′,4″-tricarboxytriphenylamine(-2H))(1,4-naphthalenedicarboxylic acid(-1H))*H2O]n [ No CAS ]
YieldReaction ConditionsOperation in experiment
16% Autoclave; High pressure; A mixture of H3TCA (0.019g, 0.05mmol), H2NDC (0.0108g, 0.05 mmol), TbCl3 6H2O (0.0747g, 0.2mmol), and H2O (6mL) was sealed in a 10mL Teflon-lined stainless steel autoclave, and heated at 125 C for 3 days under autogenous pressure. Then the system was cooled to room temperature at a rate of 5 C/h. Yellow block crystals of 2 were collected in 16% yield(based on TbCl3 * 6H2O). Elemental analysis (%): Calcd for C33H22TbNO11: H,2.87;C,51.60;N, 1.82. Found: H,2.86;C,51.57;N,1.85.IR(KBr,cm-1): 3399(s),2923 (w),2591(w),1930(w),1598(s),1404(s),1280(s),1183(m),851(m),779(m),582(w).
  • 16
  • cadmium(II) nitrate tetrhydrate [ No CAS ]
  • [ 127-19-5 ]
  • [ 7732-18-5 ]
  • [ 118996-38-6 ]
  • [Cd5(4,4′,4″-tricarboxytriphenylamine)2(H2O)2]·8DMA·16H2O [ No CAS ]
  • 17
  • cadmium(II) chloride hexahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • [ 1310-73-2 ]
  • [Cd2.5Na(4,4',4''-nitrilotrisbenzoic acid)2(N,N-dimethylformamide)4]*3N,N-dimethylformamide [ No CAS ]
  • 18
  • [ 855766-92-6 ]
  • cadmium(II) nitrate tetrhydrate [ No CAS ]
  • [ 127-19-5 ]
  • [ 118996-38-6 ]
  • 2C21H12NO6(3-)*C18H14N4*3Cd(2+)*6C4H9NO [ No CAS ]
  • 19
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 127-19-5 ]
  • [ 610-29-7 ]
  • [ 118996-38-6 ]
  • 4Zn(2+)*2C21H12NO6(3-)*0.5C8H3NO6(2-)*O(2-)*C2H7N*H(1+)*3C4H9NO [ No CAS ]
  • 20
  • thorium(IV) nitrate hexahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • [(CH3)2NH2][Th2(4,4’,4’-nitrilotribenzoate)3(H2O)2]·8H2O·6DMF [ No CAS ]
  • 21
  • [ 4282-31-9 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • 12C3H7NO*3C6H2O4S(2-)*8C21H12NO6(3-)*6H2O*O5Zn20(30+) [ No CAS ]
  • 22
  • [ 110-86-1 ]
  • manganese(II) chloride tetrahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • 2C21H12NO6(3-)*3Mn(2+)*4C5H5N*2H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
38% In water; at 120.0℃; for 48h;Autoclave; 2.1.4 Synthesis of [Mn3(L)2(py)4(H2O)]·H2O (4) A mixture of MnCl2·4H2O (10.2 mg, 0.05 mmol), py (0.5 mL, 0.05 mmol) and H3L (18.7 mg, 0.05 mmol) in 5 mL H2O at 120 C for 48 h afforded light yellow crystals of 4 in 38% yield based on MnCl2·4H2O. Elem anal. Calcd for C62H44Mn3N6O14: C, 59.01; H, 3.51; N, 6.66; Found: C, 59.12; H, 3.25; N, 6.75. IR (cm-1): 1594s, 1505m, 1499vs, 1397s, 1309m, 1267w, 1172m, 1113m, 1037w, 840s, 780vs, 699s, 671m, 625w.
  • 23
  • [ 617-84-5 ]
  • manganese(II) chloride tetrahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • C21H12NO6(3-)*3CHO2(1-)*3C5H11NO*3Mn(2+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
64% In ethanol; water; at 110.0℃; for 24h;Autoclave; 2.1.1 Synthesis of [Mn3(L)(HCOO)3(DEF)3] (1) A mixture of MnCl2·4H2O (20.2 mg, 0.1 mmol) and H3L (38.3 mg, 0.1 mmol) in 5 mL DEF/EtOH/H2O (5:3:2, v: v:v) was sealed in a 20 mL Teflon-lined stainless vessel and subjected to 110 C for 24 h, and then cooled to room temperature. Yellow block-shaped crystals of 1 were obtained in 64% yield based on MnCl2·4H2O. Elem anal. Calcd for C39H48Mn3N4O15: C, 47.91; H, 4.95; N, 5.73; Found: C, 47.79; H, 4.74; N, 5.67. IR (cm-1): 1650w, 1617vs, 1598m, 1549vw, 1395s, 1309m, 1271w, 1169w, 1130w, 999w, 827w, 784m, 715w, 666w, 656w.
  • 24
  • manganese(II) chloride tetrahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • 4C21H12NO6(3-)*4C3H7NO*5Mn(2+)*4H2O*2C2H8N(1+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
32% In water; at 120.0℃; for 48h;Autoclave; A mixture of MnCl2·4H2O (20.2mg, 0.1mmol) and H3L (38.1mg, 0.1mmol) in 5mL DMF/H2O (7:3, v: v) was subjected to solvothermal condition at 120C for 48h, and then cooled to room temperature. Yellow block-shaped crystals of 3 were obtained (yield: 32%, based on MnCl2·4H2O). Elem anal. Calcd for C100H94Mn5N10O32: C, 54.04; H, 4.26; N, 6.30; Found: C, 54.11; H, 4.38; N, 6.17. IR (cm-1): 1650w, 1596m, 1534w, 1510w, 1459vw, 1407m, 1378m, 1311w, 1247m, 1173w, 1066s, 1035m, 901m, 850m, 783m, 737w, 672w, 631m.
  • 25
  • manganese(II) chloride tetrahydrate [ No CAS ]
  • [ 64-17-5 ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • 2C21H12NO6(3-)*C3H7NO*3Mn(2+)*2C2H6O [ No CAS ]
YieldReaction ConditionsOperation in experiment
22% In water; at 110.0℃; for 24h;Autoclave; General procedure: 2.1.1 Synthesis of [Mn3(L)(HCOO)3(DEF)3] (1) A mixture of MnCl2·4H2O (20.2 mg, 0.1 mmol) and H3L (38.3 mg, 0.1 mmol) in 5 mL DEF/EtOH/H2O (5:3:2, v: v:v) was sealed in a 20 mL Teflon-lined stainless vessel and subjected to 110 C for 24 h, and then cooled to room temperature. Yellow block-shaped crystals of 1 were obtained in 64% yield based on MnCl2·4H2O.
  • 26
  • [ 288-36-8 ]
  • [ 4282-31-9 ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • [(CH3)2NH2]2[Zn8(1H-1,2,3-triazolate)6(2,5-thiophenedicarboxylate)3](tris(4-carboxyphenyl)amine)2 [ No CAS ]
  • 28
  • [ 127-19-5 ]
  • terbium(III) chloride hexahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • 2C21H12NO6(3-)*0.5C4H9NO*3HO(1-)*3.5H2O*3Tb(3+) [ No CAS ]
  • 29
  • gadolinium(III) nitrate hexahydrate [ No CAS ]
  • [ 118996-38-6 ]
  • C21H12NO6(3-)*Gd(3+) [ No CAS ]
  • 30
  • 1,4-bis(4-pyridylethenyl)benzene [ No CAS ]
  • copper(II) nitrate [ No CAS ]
  • [ 118996-38-6 ]
  • 2Cu(2+)*2C21H13NO6(2-)*C20H16N2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
98.1% With nitric acid; In water; acetonitrile; at 120.0℃; for 48h; The raw material was weighed at a ratio of H3ntb: bpeb: Cu (NO3) 2: CH3CN: H2O: HNO3 of 33: 17: 50: 9110: 11090:Placed in a 50 mL glass beaker,Mixed for 1 h,Transferred to a 25 mL reactor,The reaction was carried out at 120 C for two days,Naturally cooled to room temperature,Observed pale green crystals,Ie target products,Filter it out from the mother liquor,Washed with water,After the natural dry.The obtained copper coordination polymer had an elemental analysis consistent with Example 1,Infrared,Fluorescence,X-ray powder diffraction characterization data.The present embodiment is repeated a plurality of times,According to the actual production of [Cu2 (Hntb) 2 (bpeb)] the quality of 27.5 ~ 28.5mg,The calculated yield was 94.6% ~ 98.1%.
  • 31
  • [ 124-22-1 ]
  • [ 118996-38-6 ]
  • C57H90N4O3 [ No CAS ]
  • 32
  • [ 118996-38-6 ]
  • [ 265981-31-5 ]
  • C51H78N4O3 [ No CAS ]
  • 33
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • [ 7732-18-5 ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • {(Me2NH2)2[Co(4,4′,4″-nitrilotribenzoate)Cl]n·1/2nDMF·1/2nH2O [ No CAS ]
  • 34
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • [ 7732-18-5 ]
  • [ 118996-38-6 ]
  • [ 68-12-2 ]
  • {(Me2NH2)2[Co5(4,4′,4″-nitrilotribenzoate)4(H2O)3(Me2NH)]n·13nDMF·2nH2O [ No CAS ]
  • 35
  • [ 66-71-7 ]
  • [ 5970-45-6 ]
  • [ 118996-38-6 ]
  • C21H13NO6(2-)*Zn(2+)*C12H8N2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% In water; N,N-dimethyl-formamide; at 140.0℃; for 72h;Sealed tube; The mixture of Zn(CH3COO)2·2H2O (0.022 g, 0.100 mmol), H3TCA(0.037 g, 0.100 mmol) and Phen (0.018 g, 0.100 mmol) in 1 mL of dimethylformamide (DMF) and 5 mL H2O was sealed in a 15 mL vial,then transferred to the reaction of teflon reactor, heated to 140 C for 3 days, and then cooled to room temperature. The colorless block crystals obtained were washed with ethanol, and dried at room temperature (yield: 62%). Anal. calcd for C33H21N3O6Zn(%): C, 63.83; H, 3.41; N,6.77. Found: C, 63.78; H, 3.38; N, 6.76. IR (KBr, cm-1): 3396.72 (m),3072.80 (m), 2546.87 (m), 1676.28 (s), 1593.35 (s),1508.83 (s),1431.13 (s), 1413.87 (s), 1383.40 (s), 1314.86 (s),1288.25 (s),1173.35 (s), 1105.81 (m), 1016.61 (w), 943.53 (w),846.83 (s),782.78 (s), 725.78 (m), 711.25 (m), 682.12 (w),664.99 (w), 644.00(w), 549.24 (m), 514.10 (m), 445.79 (w).
 

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Chemical Structure| 99-64-9

A224296 [99-64-9]

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Chemical Structure| 610-16-2

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2-Dimethylaminobenzoic acid

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Chemical Structure| 10541-83-0

A271033 [10541-83-0]

4-(Methylamino)benzoic acid

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Chemical Structure| 556-08-1

A259930 [556-08-1]

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Carboxylic Acids

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A404890 [619-84-1]

4-Dimethylaminobenzoic acid

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Chemical Structure| 86620-62-4

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