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4-tert-Butyldiphenylamine

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Name

4-tert-Butyldiphenylamine

EINECS N/A
CAS No. 4496-49-5 Density 1.014 g/cm3
PSA 12.03000 LogP 4.80070
Solubility N/A Melting Point N/A
Formula C16H19N Boiling Point 338.653 °C at 760 mmHg
Molecular Weight 225.334 Flash Point 162.957 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4496-49-5 ((4-TERT-BUTYL-PHENYL)-PHENYL-AMINE) Hazard Symbols N/A
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;

Article Data 49

4-tert-Butyldiphenylamine 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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