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CAS 31842-22-5 C-QUINOLIN-3-YL-METHYLAMINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 31842-22-5

C-QUINOLIN-3-YL-METHYLAMINE DIHYDROCHLORIDE

  • Product code: SSC-137294
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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 31842-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

31842-22-5 / quinolin-3-ylmethanamine;dihydrochloride

Standard CAS: 31842-22-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31842-22-5
Multi CAS
Yes
Molecular Formula
C10H12CL2N2
Molecular Weight
231.120000
Exact Mass
230.037754
InChI
InChI=1S/C10H10N2.2ClH/c11-6-8-5-9-3-1-2-4-10(9)12-7-8;;/h1-5,7H,6,11H2;2*1H
InChIKey
KXPNVIZRWSRIAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.13
TPSA
38.91

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.54
Consensus LogP
2.44
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

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

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