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Basic Information
CAS No.: 86-25-9
Name: N-octyl-N-phenylaniline
Article Data: 7
Molecular Structure:
Molecular Structure of 86-25-9 (N-octyl-N-phenylaniline)
Formula: C20H27N
Molecular Weight: 281.441
Synonyms: Diphenylamine,octyl- (6CI,7CI);Octylamine, N,N-diphenyl- (8CI);Monooctyldiphenylamine;N,N-Diphenyloctylamine;N-Octyldiphenylamine;Nocrac AD-F;Octyldiphenylamine;
EINECS: 201-658-3
Density: 0.971 g/cm3
Boiling Point: 395 °C at 760 mmHg
Flash Point: 172.4 °C
PSA: 3.24000
LogP: 6.18520
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Specification

The Benzenamine, N-octyl-N-phenyl-, with the CAS registry number of 86-25-9, is also known as N, N-Diphenyloctylamine; N-Octyl-N-phenylbenzenamine and Octyldiphenylamine. Its EINECS registry number is 201-658-3. This chemical's molecular formula is C20H27N and molecular weight is 281.43508. What's more, its IUPAC name is N-Octyl-N-phenylaniline.

Physical properties about Benzenamine, N-octyl-N-phenyl- are: (1)ACD/LogP: 7.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.62; (4)ACD/LogD (pH 7.4): 7.62; (5)ACD/BCF (pH 5.5): 363713.59; (6)ACD/BCF (pH 7.4): 363731.56; (7)ACD/KOC (pH 5.5): 332627.66; (8)ACD/KOC (pH 7.4): 332644.09; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 92.76 cm3; (15)Molar Volume: 289.5 cm3; (16)Polarizability: 36.77×10-24 cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 0.971 g/cm3; (19)Flash Point: 172.4 °C; (20)Enthalpy of Vaporization: 64.51 kJ/mol; (21)Boiling Point: 395 °C at 760 mmHg; (22)Vapour Pressure: 1.9E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: N(c1ccccc1)(c2ccccc2)CCCCCCCC
(2) InChI: InChI=1/C20H27N/c1-2-3-4-5-6-13-18-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3
(3) InChIKey: RQVGZVZFVNMBGS-UHFFFAOYAS