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[ CAS No. 2038-05-3 ] N-Benzyl-2-morpholinoethanamine

Cat. No.: A287686
Chemical Structure| 2038-05-3
Chemical Structure| 2038-05-3
Structure of 2038-05-3 * Storage: Keep in dark place,Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $9.00 Inquiry Inquiry
95% 250mg $22.00 Inquiry Inquiry
95% 1g $64.00 Inquiry Inquiry
95% 5g $224.00 Inquiry Inquiry

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* Storage: Keep in dark place,Inert atmosphere,2-8°C

* Shipping: Normal

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Product Details of [ 2038-05-3 ]

CAS No. :2038-05-3 MDL No. :MFCD07364927
Formula : C13H20N2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :MSFAUJOUPQMLNF-UHFFFAOYSA-N
M.W : 220.31 Pubchem ID :4719951
Synonyms :

Calculated chemistry of [ 2038-05-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.54
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 68.83
TPSA : 24.5 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.97 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.75
Log Po/w (XLOGP3) : 0.95
Log Po/w (WLOGP) : 0.58
Log Po/w (MLOGP) : 1.14
Log Po/w (SILICOS-IT) : 2.18
Consensus Log Po/w : 1.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.75
Solubility : 3.9 mg/ml ; 0.0177 mol/l
Class : Very soluble
Log S (Ali) : -1.05
Solubility : 19.6 mg/ml ; 0.0888 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.86
Solubility : 0.0307 mg/ml ; 0.000139 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.67

Safety of [ 2038-05-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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