CAS No.4496-49-5,(4-TERT-BUTYL-PHENYL)-PHENYL-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4496-49-5
Name:	(4-TERT-BUTYL-PHENYL)-PHENYL-AMINE
Article Data:	49

Formula:	C₁₆H₁₉N
Molecular Weight:	225.334
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;
Density:	1.014 g/cm³
Boiling Point:	338.653 °C at 760 mmHg
Flash Point:	162.957 °C
PSA:	12.03000
LogP:	4.80070

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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