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Basic Information
CAS No.: 788-17-0
Name: N-(1-methylpropyl)-N'-phenylbenzene-1,4-diamine
Molecular Structure:
Molecular Structure of 788-17-0 (N-(1-methylpropyl)-N'-phenylbenzene-1,4-diamine)
Formula: C16H20N2
Molecular Weight: 240.348
Synonyms: n-(Butan-2-yl)-n'-phenylbenzene-1,4-diamine;
EINECS: 212-330-4
Density: 1.068 g/cm3
Boiling Point: 391.5 °C at 760 mmHg
Flash Point: 237.5 °C
PSA: 24.06000
LogP: 4.78660
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Specification

The ,4-Benzenediamine,N1-(1-methylpropyl)-N4-phenyl-, with the CAS registry number 788-17-0, is also known as n-(Butan-2-yl)-n'-phenylbenzene-1,4-diamine. Its EINECS registry number is 212-330-4. This chemical's molecular formula is C16H20N2 and molecular weight is 240.3434. What's more, its IUPAC name is 4-N-Butan-2-yl-1-N-phenylbenzene-1,4-diamine.

Physical properties about 4-Benzenediamine,N1-(1-methylpropyl)-N4-phenyl- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 30.56; (6)ACD/BCF (pH 7.4): 194.73; (7)ACD/KOC (pH 5.5): 232.88; (8)ACD/KOC (pH 7.4): 1484.08; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 79.09 cm3; (15)Molar Volume: 224.8 cm3; (16)Polarizability: 31.35×10-24 cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 237.5 °C; (20)Enthalpy of Vaporization: 64.11 kJ/mol; (21)Boiling Point: 391.5 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N(c1ccc(cc1)Nc2ccccc2)C(CC)C
(2) InChI: InChI=1/C16H20N2/c1-3-13(2)17-15-9-11-16(12-10-15)18-14-7-5-4-6-8-14/h4-13,17-18H,3H2,1-2H3
(3) InChIKey: LIAVGCGPNJLGQT-UHFFFAOYAW