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CAS 153936-25-5 (3-Methylpyridin-2-yl)methanamine hydrochloride molecular structure lightbox
CAS RN: 153936-25-5

(3-Methylpyridin-2-yl)methanamine hydrochloride

  • Product code: SSC-063314
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 153936-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

153936-25-5 / (3-methyl-2-pyridinyl)methanamine;hydrochloride

Standard CAS: 153936-25-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153936-25-5
Multi CAS
No
Molecular Formula
C7H11ClN2
Molecular Weight
158.630000
Exact Mass
158.061076
SMILES
CC1=C(N=CC=C1)CN.Cl
InChI
InChI=1S/C7H10N2.ClH/c1-6-3-2-4-9-7(6)5-8;/h2-4H,5,8H2,1H3;1H
InChIKey
RXEGAVWOPSLNLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.11
TPSA
38.91

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.79

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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