CAS No.124729-98-2,4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	124729-98-2
Name:	4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine
Article Data:	5

Formula:	C₅₇H₄₈N₄
Molecular Weight:	789.035
Synonyms:	1,4-Benzenediamine,N-(3-methylphenyl)-N',N'-bis[4-[(3-methylphenyl)phenylamino]phenyl]-N-phenyl-(9CI);4,4',4''-Tri[N-(methylphenyl)-N-phenylamino]triphenylamine;4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine;4,4',4''-Tris[N-(3'''-methylphenyl)-N-phenylamino]triphenylamine;MTDATA;Tris[4-[phenyl(3-methylphenyl)amino]phenyl]amine;m-MTDATA;
EINECS:	631-370-7
Density:	1.199 g/cm³
Melting Point:	203-207 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	12.96000
LogP:	16.49100

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Specification

The CAS register number of 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine is 124729-98-2. It also can be called as 1,4-Benzenediamine,N1-(3-methylphenyl)-N4,N4-bis[4-[(3-methylphenyl)phenylamino]phenyl]-N1-phenyl- and the systematic name about this chemical is N1,N1'-bis(m-tolyl)-N4-[4-[N-(m-tolyl)anilino]phenyl]-N1,N1',N4-triphenyl-cyclohexa-2,4-diene-1,1,4-triamine. The molecular formula about this chemical is C₅₇H₄₈N₄and the molecular weight is 789.03. It belongs to the Electronic.

Physical properties about 4,4',4''-Tris(N-3-methylphenyl-N-phenylamino)triphenylamine are: (1)ACD/LogP: 15.90; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.895; (4)ACD/LogD (pH 7.4): 15.895; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 12.96Å²; (12)Index of Refraction: 1.704; (13)Molar Refractivity: 256.185 cm³; (14)Molar Volume: 659.629 cm³; (15)Polarizability: 101.56x10^-24cm³; (16)Surface Tension: 57.645 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1)N(c2ccccc2)c3ccc(cc3)N(c4ccccc4)C5=CCC(C=C5)(N(c6ccccc6)c7cccc(c7)C)N(c8ccccc8)c9cccc(c9)C
(2)InChI: InChI=1/C57H50N4/c1-44-19-16-30-54(41-44)59(48-24-10-5-11-25-48)50-35-33-49(34-36-50)58(47-22-8-4-9-23-47)51-37-39-57(40-38-51,60(52-26-12-6-13-27-52)55-31-17-20-45(2)42-55)61(53-28-14-7-15-29-53)56-32-18-21-46(3)43-56/h4-39,41-43H,40H2,1-3H3
(3)InChIKey: YJPWJPGFAZXBOV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C57H50N4/c1-44-19-16-30-54(41-44)59(48-24-10-5-11-25-48)50-35-33-49(34-36-50)58(47-22-8-4-9-23-47)51-37-39-57(40-38-51,60(52-26-12-6-13-27-52)55-31-17-20-45(2)42-55)61(53-28-14-7-15-29-53)56-32-18-21-46(3)43-56/h4-39,41-43H,40H2,1-3H3
(5)Std. InChIKey: YJPWJPGFAZXBOV-UHFFFAOYSA-N