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1203-41-4

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Basic Information
CAS No.: 1203-41-4
Name: 2'-METHYL-BIPHENYL-2-YLAMINE
Article Data: 4
Cas Database
Molecular Structure:
Molecular Structure of 1203-41-4 (2'-METHYL-BIPHENYL-2-YLAMINE)
Formula: C13H13N
Molecular Weight: 183.253
Synonyms: 2'-Methylbiphenyl-2-ylamine;2-Biphenylamine,2'-methyl- (6CI,7CI,8CI);2-Amino-2'-methylbiphenyl;
Boiling Point: 302.4 °C at 760 mmHg
Flash Point: 143.6 °C
Hazard Symbols: IrritantXi
PSA: 26.02000
LogP: 3.82540
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Specification

The [1,1'-Biphenyl]-2-amine,2'-methyl-, with its CAS registry number 1203-41-4, has the systematic name of 2'-methylbiphenyl-2-amine hydrochloride. With the molecular foumula of C13H13N, its formula weight is 183.25.

The characteristics of [1,1'-Biphenyl]-2-amine,2'-methyl- are as follows: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 141.68; (6)ACD/BCF (pH 7.4): 143.67; (7)ACD/KOC (pH 5.5): 1201.65; (8)ACD/KOC (pH 7.4): 1218.52; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 143.6 °C; (14)Enthalpy of Vaporization: 54.26 kJ/mol; (15)Boiling Point: 302.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000994 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Cl.c2(c(c1ccccc1N)cccc2)C
(2)InChI:InChI=1/C13H13N.ClH/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14;/h2-9H,14H2,1H3;1H
(3)InChIKey:XQQQQDWLXLNRDW-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C13H13N.ClH/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14;/h2-9H,14H2,1H3;1H
(5)Std. InChIKey:XQQQQDWLXLNRDW-UHFFFAOYSA-N