CAS RN: 936225-52-4

N-Methyl-1-(pyridin-4-yl)MethanaMine hydrochloride

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Batchno.20260423 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS936225-52-4
  • Purity/Analytical Methods: >99.0%
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936225-52-4 / N-methyl-1-pyridin-4-ylmethanamine;hydrochloride

Standard CAS: 936225-52-4 Multi CAS: No

Basic Information

CAS
936225-52-4
Multi CAS
No
Molecular Formula
C7H11CLN2
Molecular Weight
158.630000
Exact Mass
158.061076
InChI
InChI=1S/C7H10N2.ClH/c1-8-6-7-2-4-9-5-3-7;/h2-5,8H,6H2,1H3;1H
InChIKey
CGWCAONYMGWAKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.25
TPSA
24.92

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.22
Consensus LogP
1.17
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
Soluble

ADME

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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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