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61931-82-6

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Basic Information
CAS No.: 61931-82-6
Name: N-(1,3-DIMETHYLBUTYL)-N'-PHENYL-P-PHENYLENEDIAMINE
Molecular Structure:
Molecular Structure of 61931-82-6 (N-(1,3-DIMETHYLBUTYL)-N'-PHENYL-P-PHENYLENEDIAMINE)
Formula: C18H24N2
Molecular Weight: 268.3966
Synonyms: N-(1,3-Dimethylbutyl)-N-phenyl-p-phenylenediamine;N-(1,3-Dimethylbutyl)-N-phenylbenzene-1,4-diamine;N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine;
EINECS: 263-339-5
Density: 1.033 g/cm3
Boiling Point: 420.3 °C at 760 mmHg
Flash Point: 190.1 °C
PSA: 24.06000
LogP: 5.42270
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Specification

The 1,4-Benzenediamine,N1-(1,3-dimethylbutyl)-N1-phenyl-, with the CAS registry number 61931-82-6, is also known as N-(1,3-Dimethylbutyl)-N-phenyl-p-phenylenediamine. Its EINECS number is 263-339-5. This chemical's molecular formula is C18H24N2 and molecular weight is 268.40. What's more, its systematic name is N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine.

Physical properties of 1,4-Benzenediamine,N1-(1,3-dimethylbutyl)-N1-phenyl- are: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.46; (4)ACD/LogD (pH 7.4): 4.6; (5)ACD/BCF (pH 5.5): 1326.56; (6)ACD/BCF (pH 7.4): 1857.58; (7)ACD/KOC (pH 5.5): 5428.22; (8)ACD/KOC (pH 7.4): 7601.12; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 87.64 cm3; (15)Molar Volume: 259.5 cm3; (16)Polarizability: 34.74×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.033 g/cm3; (19)Flash Point: 190.1 °C; (20)Enthalpy of Vaporization: 67.41 kJ/mol; (21)Boiling Point: 420.3 °C at 760 mmHg; (22)Vapour Pressure: 2.85E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccccc1)(c2ccc(cc2)N)C(CC(C)C)C
(2)Std. InChI: InChI=1S/C18H24N2/c1-14(2)13-15(3)20(17-7-5-4-6-8-17)18-11-9-16(19)10-12-18/h4-12,14-15H,13,19H2,1-3H3
(3)Std. InChIKey: KZTCAXCBXSIQSS-UHFFFAOYSA-N