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CAS 2492-83-3 2-(4-CHLORO-PHENYL)-ETHYLAMINE HCL molecular structure lightbox
CAS RN: 2492-83-3

2-(4-CHLORO-PHENYL)-ETHYLAMINE HCL

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260211 100g In stock Inquiry
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  • Product code: starshine_CAS2492-83-3
  • Purity/Analytical Methods: >99.0%
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2492-83-3 / 2-(4-chlorophenyl)ethanamine;hydrochloride

Standard CAS: 2492-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2492-83-3
Multi CAS
No
Molecular Formula
C8H11Cl2N
Molecular Weight
192.080000
Exact Mass
191.026855
SMILES
C1=CC(=CC=C1CCN)Cl.Cl
InChI
InChI=1S/C8H10ClN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKey
RAQLDEHFRPTIHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.46
TPSA
26.02

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.26
Consensus LogP
2.17
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.29

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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