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CAS 260794-33-0 5-(aMinoMethyl)pyridin-2-aMine dihydrochloride molecular structure lightbox
CAS RN: 260794-33-0

5-(aMinoMethyl)pyridin-2-aMine dihydrochloride

  • Product code: SSC-122934
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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: ≥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 260794-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

260794-33-0 / 5-(aminomethyl)pyridin-2-amine;dihydrochloride

Standard CAS: 260794-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
260794-33-0
Multi CAS
No
Molecular Formula
C6H11Cl2N3
Molecular Weight
196.070000
Exact Mass
195.033003
SMILES
C1=CC(=NC=C1CN)N.Cl.Cl
InChI
InChI=1S/C6H9N3.2ClH/c7-3-5-1-2-6(8)9-4-5;;/h1-2,4H,3,7H2,(H2,8,9);2*1H
InChIKey
HSHJMEDEJJTZND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.04
TPSA
64.93

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.97
Consensus LogP
0.93
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.23

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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