Benzenemethanamine,4-chloro-alpha-methyl-

Details:

1. Introduction of Benzenemethanamine,4-chloro-alpha-methyl-

The Benzenemethanamine,4-chloro-alpha-methyl-, with its CAS NO 6299-02-1, is a kind of clear yellow liquid. It has synonyms of Benzylamine,p-chloro-alpha-methyl- (7CI,8CI);1-(4-Chlorophenyl)ethanamine;1-(4-Chlorophenyl)ethylamine;1-(p-Chlorophenyl)ethylamine;4-Chloro-alpha-methylbenzenemethanamine;4-Chloro-alpha-methylbenzylamine;NSC 42452;p-Chloro-a-methylbenzylamine;alpha-(p-Chlorophenyl)ethylamine alpha-Methyl-4-chlorobenzenemethanamine.


 

2. Properties of Benzenemethanamine,4-chloro-alpha-methyl-

(1) ACD/LogP: 2.483  (2) ACD/LogD (pH 5.5): -0.41  (3) ACD/LogD (pH 7.4): 1.05
(4) ACD/BCF (pH 5.5): 1.00   (5) ACD/BCF (pH 7.4): 1.68
(6) ACD/KOC (pH 5.5): 1.00  (6) ACD/KOC (pH 7.4): 19.82  (7) #H bond acceptors: 1   (8) #H bond donors: 2
(9) #Freely Rotating Bonds: 2   (10) Polar Surface Area: 26.02  2
(11) Index of Refraction: 1.551  (12) Molar Refractivity: 44.235 cm3
(13) Molar Volume: 138.627 cm3   (14) Polarizability: 17.536 10-24cm3
(15) Surface Tension: 39.4550018310547 dyne/cm   (16) Density: 1.123 g/cm3
(17) Flash Point: 100.903 °C   (18) Enthalpy of Vaporization: 46.245 kJ/mol
(19) Boiling Point: 225.922 °C at 760 mmHg
 

3. Structure descriptors of Benzenemethanamine,4-chloro-alpha-methyl-

SMILES:Clc1ccc(cc1)C(N)C 

Std. InChI:InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3

Std. InChIKey:PINPOEWMCLFRRB-UHFFFAOYSA-N