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CAS 29483-71-4 O-AMINOBENZYLAMINE 2HCL molecular structure lightbox
CAS RN: 29483-71-4

O-AMINOBENZYLAMINE 2HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS29483-71-4
  • Purity/Analytical Methods: >99.0%
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29483-71-4 / 2-(aminomethyl)aniline;dihydrochloride

Standard CAS: 29483-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29483-71-4
Multi CAS
No
Molecular Formula
C7H12CL2N2
Molecular Weight
195.090000
Exact Mass
194.037754
InChI
InChI=1S/C7H10N2.2ClH/c8-5-6-3-1-2-4-7(6)9;;/h1-4H,5,8-9H2;2*1H
InChIKey
GDBZDLPGORORCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.24
TPSA
52.04

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.57
Consensus LogP
1.51
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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