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82485-84-5

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Basic Information
CAS No.: 82485-84-5
Name: (2-Chloro-4,6-dimethoxyphenyl)amine
Article Data: 3
Molecular Structure:
Molecular Structure of 82485-84-5 ((2-Chloro-4,6-dimethoxyphenyl)amine)
Formula: C8H10ClNO2
Molecular Weight: 187.626
Synonyms: 2-Chloro-4,6-dimethoxyaniline;
Density: 1.237 g/cm3
Boiling Point: 285.6 °C at 760 mmHg
Flash Point: 126.6 °C
PSA: 44.48000
LogP: 2.52060
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Specification

The (2-Chloro-4,6-dimethoxyphenyl)amine has CAS registry number 82485-84-5. The molecular formula of this chemical is C8H10ClNO2 and its molecular weight is 187.62. What's more, its systematic name is 2-Chloro-4,6-dimethoxyaniline.

Physical properties about (2-Chloro-4,6-dimethoxyphenyl)amine are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.4; (6)ACD/BCF (pH 7.4): 28.54; (7)ACD/KOC (pH 5.5): 381.37; (8)ACD/KOC (pH 7.4): 383.23; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 48.74 cm3; (15)Molar Volume: 151.6 cm3; (16)Polarizability: 19.32×10-24 cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.237 g/cm3; (19)Flash Point: 126.6 °C; (20)Enthalpy of Vaporization: 52.47 kJ/mol; (21)Boiling Point: 285.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00277 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(OC)cc(OC)c1N
(2) InChI: InChI=1/C8H10ClNO2/c1-11-5-3-6(9)8(10)7(4-5)12-2/h3-4H,10H2,1-2H3
(3) InChIKey: IHGSJUGRPUIDRO-UHFFFAOYAF