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4806-79-5

Basic Information
CAS No.: 4806-79-5
Name: P-CHLORO-BETA-METHYL-PHENETHYLAMINE HYDROCHLORIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 4806-79-5 (P-CHLORO-BETA-METHYL-PHENETHYLAMINE HYDROCHLORIDE)
Formula: C9H12 Cl N
Molecular Weight: 169.654
Synonyms: Phenethylamine,p-chloro-b-methyl- (7CI,8CI);2-(4-Chlorophenyl)-1-propylamine; 2-(4-Chlorophenyl)propan-1-amine; 2-(4-Chlorophenyl)propylamine;2-(p-Chlorophenyl)propylamine; p-Chloro-b-methylphenylethylamine
EINECS: 225-365-5
Density: 1.093 g/cm3
Boiling Point: 243.3 °C at 760 mmHg
Flash Point: 116.2 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 26.02000
LogP: 3.90450
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Chemistry

Molecular Structure of 2-(4-Chlorophenyl)propan-1-amine hydrochloride (CAS No.4806-79-5):
 
Molecular Formula: C9H12ClN.HCl
Molecular Weight: 206.11
CAS No: 4806-79-5
H bond acceptors: 1
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 26.02 Å2
Flash Point: 123.6 °C
Enthalpy of Vaporization: 53 kJ/mol
Boiling Point: 280.8 °C at 760 mmHg
Vapour Pressure: 0.00285 mmHg at 25°C
Systematic Name: 2-(4-Chlorophenyl)propan-1-amine hydrochloride (1:1)
InChI: InChI=1/C9H12ClN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
InChIKey: RTPMRVSAKBTCBG-UHFFFAOYAH
Std. InChI: InChI=1S/C9H12ClN.ClH/c1-7(6-11)8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
Std. InChIKey: RTPMRVSAKBTCBG-UHFFFAOYSA-N

Safety Profile

WGK Germany: 3

Specification

   2-(4-Chlorophenyl)propan-1-amine hydrochloride (CAS No.4806-79-5), it also can be called p-Chloro-beta-methylphenethylamine hydrochloride ; 2-(4-Chlorophenyl)propan-1-amine hydrochloride (1:1) ; Benzeneethanamine, 4-chloro-beta-methyl-, hydrochloride (1:1) ; 2-(4-Chlorophenyl)propylamine hydrochloride ; 4-Chloro-beta-methylphenethylamine hydrochloride .