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Benzenamine,4-(1,1-dimethylethyl)-N-phenyl- (4496-49-5)

Identification
Name:Benzenamine,4-(1,1-dimethylethyl)-N-phenyl-
Synonyms:(4-tert-Butylphenyl)phenylamine;4-tert-Butyl-N-phenylaniline;4-tert-Butyldiphenylamine;N-(4-tert-Butylphenyl)aniline;N-Phenyl-4-tert-butylaniline;Phenyl(p-tert-butylphenyl)amine;
CAS:4496-49-5
Molecular Formula: C16H19N
Molecular Weight: 225.33
InChI: InChI=1/C16H19N/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12,17H,1-3H3
Molecular Structure: (C16H19N) (4-tert-Butylphenyl)phenylamine;4-tert-Butyl-N-phenylaniline;4-tert-Butyldiphenylamine;N-(4-tert-But...
Properties
Density:1.014
Refractive index:1.581
Specification:

This chemical is called 4-tert-Butyldiphenylamine, and it can also be named as N-(4-tert-Butylphenyl)aniline. With the CAS registry number of 4496-49-5, its product categories are Naphthyridine and Quinoline. In addition, the molecular formula of this chemical is C16H19N, and its molecular weight is 225.33.

Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: 5.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2041; (6)ACD/BCF (pH 7.4): 2041; (7)ACD/KOC (pH 5.5): 8142; (8)ACD/KOC (pH 7.4): 8142; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 74.015 cm3; (15)Molar Volume: 222.162 cm3; (16)Polarizability: 29.342×10-24cm3; (17)Surface Tension: 37.199 dyne/cm; (18)Density: 1.014 g/cm3; (19)Flash Point: 162.957 °C; (20)Enthalpy of Vaporization: 58.203 kJ/mol; (21)Boiling Point: 338.653 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c2c(Nc1ccc(cc1)C(C)(C)C)cccc2
(2)InChI: InChI=1/C16H19N/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12,17H,1-3H3
(3)InChIKey: UOMXLEWVJZEVGP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H19N/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12,17H,1-3H3
(5)Std. InChIKey: UOMXLEWVJZEVGP-UHFFFAOYSA-N

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