CAS No.4175-37-5,4-octyl-N-phenylaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4175-37-5
Name:	4-octyl-N-phenylaniline
Article Data:	2

Formula:	C₂₀H₂₇N
Molecular Weight:	281.441
Synonyms:	Diphenylamine,4-octyl- (7CI,8CI);4-Octyldiphenylamine;p-Octyldiphenylamine;
EINECS:	224-040-5
Density:	0.979 g/cm³
Melting Point:	41-43 °C
Boiling Point:	409.3 °C at 760 mmHg
Flash Point:	208.3 °C
PSA:	12.03000
LogP:	6.40620

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Specification

The Benzenamine,4-octyl-N-phenyl- is an organic compound with the formula C₂₀H₂₇N. The IUPAC name of this chemical is 4-octyl-N-phenylaniline. With the CAS registry number 4175-37-5, it is also named as 4-Octyldiphenylamine.

Physical properties about Benzenamine,4-octyl-N-phenyl- are: (1)ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.15; (4)ACD/LogD (pH 7.4): 7.15; (5)ACD/BCF (pH 5.5): 159619.66; (6)ACD/BCF (pH 7.4): 159627.38; (7)ACD/KOC (pH 5.5): 184476.14; (8)ACD/KOC (pH 7.4): 184485.05; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 92.97 cm³; (15)Molar Volume: 287.3 cm³; (16)Polarizability: 36.85×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 0.979 g/cm³; (19)Flash Point: 208.3 °C; (20)Enthalpy of Vaporization: 66.15 kJ/mol; (21)Boiling Point: 409.3 °C at 760 mmHg; (22)Vapour Pressure: 6.56E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2c(Nc1ccc(cc1)CCCCCCCC)cccc2
(2)InChI: InChI=1/C20H27N/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17,21H,2-6,8,11H2,1H3
(3)InChIKey: DMLLDZGHGNLZNW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C20H27N/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17,21H,2-6,8,11H2,1H3
(5)Std. InChIKey: DMLLDZGHGNLZNW-UHFFFAOYSA-N