3,3'-Dimethyl-4-aminobiphenyl supplier

Name
3,3'-Dimethyl-4-(1,1'-biphenyl)amine
EINECS
CAS No. 13629-82-8
Article Data6
CAS DataBase
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₅N
Boiling Point 320.5 °C at 760 mmHg
Molecular Weight 197.28
Flash Point 154.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-BIPHENYLAMINE, 3,3-DIMETHYL-;4-12-00-03330 (Beilstein Handbook Reference);2-methyl-4-(3-methylphenyl)aniline;3,3-Dimethyl-4-aminobiphenyl;3,3-Dimethyl-4-aminodiphenyl;3,3-Dimethyl-4-biphenylamine;4-Amino-3,3-dimethyl-biphenyl;3,3'-Dimethyl-4-aminodiphenyl;3,3'-Dimethyl-4-biphenylamine;
PSA 26.02000
LogP 4.13380

3,3'-Dimethyl-4-aminobiphenyl Specification

This chemical is called 3,3'-Dimethyl-4-aminobiphenyl, and it can also be named as [1,1'-biphenyl]-4-amine, 3,3'-dimethyl-. With the molecular formula of C₁₄H₁₅N, its molecular weight is 197.30. The CAS registry number of this chemical is 13629-82-8, and its classification code is Tumor data.

Other characteristics of the 3,3'-Dimethyl-4-aminobiphenyl can be summarised as followings: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 358.75; (6)ACD/BCF (pH 7.4): 374.74; (7)ACD/KOC (pH 5.5): 2316.71; (8)ACD/KOC (pH 7.4): 2419.99; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 64.73 cm³; (15)Molar Volume: 189.5 cm³; (16)Polarizability: 25.66×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 56.22 kJ/mol; (21)Boiling Point: 320.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000316 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c2(c1ccc(N)c(c1)C)cccc(c2)C
2.InChI: InChI=1/C14H15N/c1-10-4-3-5-12(8-10)13-6-7-14(15)11(2)9-13/h3-9H,15H2,1-2H3
3.InChIKey: BVXLFLQATMVEKU-UHFFFAOYAT

Product Name

3,3'-Dimethyl-4-(1,1'-biphenyl)amine

3,3'-Dimethyl-4-aminobiphenyl Specification

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