The Benzeneethanamine,2,5-dichloro-, with the CAS registry number 56133-86-9, has the systematic name of 2-(2,5-dichlorophenyl)ethanamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H9Cl2N.
The characteristics of Benzeneethanamine,2,5-dichloro- are as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 9.428; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 49.127 cm3; (14)Molar Volume: 149.83 cm3; (15)Polarizability: 19.476×10-24cm3; (16)Surface Tension: 43.435 dyne/cm; (17)Density: 1.269 g/cm3; (18)Flash Point: 113.538 °C; (19)Enthalpy of Vaporization: 50.199 kJ/mol; (20)Boiling Point: 264.123 °C at 760 mmHg; (21)Vapour Pressure: 0.01 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(c(cc1Cl)CCN)Cl
(2)InChI: InChI=1/C8H9Cl2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2
(3)InChIKey: KSKAHYBZLQUACF-UHFFFAOYAU
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