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Basic Information
CAS No.: 55389-75-8
Name: BIS-(3,4-DIMETHYL-PHENYL)-AMINE
Article Data: 4
Molecular Structure:
Molecular Structure of 55389-75-8 (BIS-(3,4-DIMETHYL-PHENYL)-AMINE)
Formula: C16H19N
Molecular Weight: 225.334
Synonyms: 3,3',4,4'-Tetramethyldiphenylamine;Bis(3,4-dimethylaniline);Bis(3,4-dimethylphenyl)amine;
EINECS: 200-258-5
Density: 1.021 g/cm3
Melting Point: 110 °C
Boiling Point: 367 °C at 760 mmHg
Flash Point: 184.6 °C
PSA: 12.03000
LogP: 4.73680
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  • Bis(3,4-dimethylphenyl)amine

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    55389-75-8

    Bis(3,4-dimethylphenyl)amine

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Specification

The Bis(3,4-dimethylphenyl)amine, with the cas registry number 55389-75-8, has the systematic name of N-(3,4-dimethylphenyl)-3,4-dimethylaniline. The molecular formula of the chemical is C16H19N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 2661.62; (6)ACD/BCF (pH 7.4): 2662.56; (7)ACD/KOC (pH 5.5): 9846.24; (8)ACD/KOC (pH 7.4): 9849.73; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 74.92 cm3; (15)Molar Volume: 220.5 cm3; (16)Polarizability: 29.7×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.021 g/cm3; (19)Flash Point: 184.6 °C; (20)Enthalpy of Vaporization: 61.35 kJ/mol; (21)Boiling Point: 367 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c2c(Nc1cc(c(cc1)C)C)cc(c(c2)C)C
(2)InChI: InChI=1/C16H19N/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10,17H,1-4H3
(3)InChIKey: IMQQPEKHINRTCE-UHFFFAOYAC