CAS No.4627-22-9,4,4'-DI-TERT-BUTYLDIPHENYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4627-22-9
Name:	4,4'-DI-TERT-BUTYLDIPHENYLAMINE
Article Data:	23

Formula:	C₂₀H₂₇N
Molecular Weight:	281.441
Synonyms:	Diphenylamine,4,4'-di-tert-butyl- (7CI,8CI);Bis(4-tert-butylphenyl)amine;Bis(p-tert-butylphenyl)amine;Di-4-tert-butylphenylamine;p,p'-Di-tert-butyldiphenylamine;
Density:	0.974 g/cm³
Melting Point:	108 °C
Boiling Point:	382.8 °C at 760 mmHg
Flash Point:	188.1 °C
PSA:	12.03000
LogP:	6.09820

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Specification

The CAS registry number of Benzenamine,4-(1,1-dimethylethyl)-N-[4-(1,1-dimethylethyl)phenyl]- is 4627-22-9. The systematic name is 4-tert-butyl-N-(4-tert-butylphenyl)aniline. In addition, the molecular formula is C₂₀H₂₇N and the molecular weight is 281.43. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 6.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.35; (4)ACD/LogD (pH 7.4): 6.35; (5)ACD/BCF (pH 5.5): 39163.43; (6)ACD/BCF (pH 7.4): 39167.04; (7)ACD/KOC (pH 5.5): 67477.02; (8)ACD/KOC (pH 7.4): 67483.25; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 92.4 cm³; (15)Molar Volume: 288.8 cm³; (16)Polarizability: 36.63 ×10^-24cm³; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.974 g/cm³; (19)Flash Point: 188.1 °C; (20)Enthalpy of Vaporization: 63.12 kJ/mol; (21)Boiling Point: 382.8 °C at 760 mmHg; (22)Vapour Pressure: 4.61E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2c(Nc1ccc(cc1)C(C)(C)C)ccc(c2)C(C)(C)C
(2)InChI: InChI=1/C20H27N/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h7-14,21H,1-6H3
(3)InChIKey: OPEKHRGERHDLRK-UHFFFAOYAD