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CAS 128739-16-2 N-Methyl-N-(4-pyridylmethyl)amine dihydrochloride molecular structure lightbox
CAS RN: 128739-16-2

N-Methyl-N-(4-pyridylmethyl)amine dihydrochloride

  • Product code: SSC-035931
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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: 1g
  • Available purity: ＞97%
  • 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 128739-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

128739-16-2 / N-methyl-1-pyridin-4-ylmethanamine;dihydrochloride

Standard CAS: 128739-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128739-16-2
Multi CAS
No
Molecular Formula
C7H12Cl2N2
Molecular Weight
195.090000
Exact Mass
194.037754
SMILES
CNCC1=CC=NC=C1.Cl.Cl
InChI
InChI=1S/C7H10N2.2ClH/c1-8-6-7-2-4-9-5-3-7;;/h2-5,8H,6H2,1H3;2*1H
InChIKey
OAQFZPRZKPZRJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.5
TPSA
24.92

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-2.74

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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