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[ CAS No. 636-70-4 ] Triethylamine hydrobromide

Cat. No.: A146386
Chemical Structure| 636-70-4
Chemical Structure| 636-70-4
Structure of 636-70-4 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 10g $7.00 Inquiry Inquiry
95% 25g $12.00 Inquiry Inquiry
95% 100g $43.00 Inquiry Inquiry
95% 500g $209.00 Inquiry Inquiry

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* Storage: Sealed in dry,Room Temperature

* Shipping: Normal

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Product Details of [ 636-70-4 ]

CAS No. :636-70-4 MDL No. :MFCD00054287
Formula : C6H16BrN Boiling Point : No data available
Linear Structure Formula :- InChI Key :NRTLTGGGUQIRRT-UHFFFAOYSA-N
M.W : 182.10 Pubchem ID :2734074
Synonyms :

Calculated chemistry of [ 636-70-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.89
TPSA : 3.24 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.42
Log Po/w (WLOGP) : 2.31
Log Po/w (MLOGP) : 2.06
Log Po/w (SILICOS-IT) : 0.66
Consensus Log Po/w : 1.49

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.3
Solubility : 0.922 mg/ml ; 0.00506 mol/l
Class : Soluble
Log S (Ali) : -2.13
Solubility : 1.35 mg/ml ; 0.00741 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.51
Solubility : 5.56 mg/ml ; 0.0305 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 636-70-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 636-70-4 ]

* 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 [ 636-70-4 ]

[ 636-70-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 39987-25-2 ]
  • [ 636-70-4 ]
  • [ 3056-17-5 ]
  • [ 1353013-96-3 ]
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