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Benzenamine,4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)- (58473-78-2)

Identification
Name:Benzenamine,4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)-
Synonyms:1,1-Bis(4-di-p-tolylaminophenyl)cyclohexane;1,1-Bis(di-4-tolylaminophenyl)cyclohexane;1,1-Bis[4-(di-4-tolylamino)phenyl]cyclohexane;4,4'-Cyclohexylidenebis[N,N-di-p-tolylaniline];ST 755;TAPC;
CAS:58473-78-2
EINECS: 261-274-7
Molecular Formula: C46H46N2
Molecular Weight: 626.87
InChI: InChI=1/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3
Molecular Structure: (C46H46N2) 1,1-Bis(4-di-p-tolylaminophenyl)cyclohexane;1,1-Bis(di-4-tolylaminophenyl)cyclohexane;1,1-Bis[4-(di-...
Properties
Density:1.118g/cm3
Refractive index:1.645
Specification:

The IUPAC name of 4,4'-Cyclohexylidenebis[N,N-bis(4-methylphenyl)aniline] is 4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline. With the CAS registry number 58473-78-2, it is also named as Benzenamine,4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)-. The product's categories are Electronic; Electroluminescence; Functional Materials, and the other registry number is 148044-18-2. In addition, its molecular formula is C46H46N2 and its molecular weight is 626.87. This chemical should be stored in tightly sealed container in cool and dry place.

The other characteristics of 4,4'-Cyclohexylidenebis[N,N-bis(4-methylphenyl)aniline] can be summarized as: (1)EINECS: 261-274-7; (2)ACD/LogP: 14.89; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 14.89; (5)ACD/LogD (pH 7.4): 14.89; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 10000000; (9)ACD/KOC (pH 7.4): 10000000; (10)H bond acceptors: 2; (11)H bond donors: 0; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 6.48 Å2; (14)Index of Refraction: 1.645; (15)Molar Refractivity: 203.45 cm3; (16)Molar Volume: 560.6 cm3; (17)Polarizability: 80.65×10-24cm3; (18)Surface Tension: 49 dyne/cm; (19)Density: 1.118 g/cm3; (20)Flash Point: 328.8 °C; (21)Melting Point: 186 °C; (22)Enthalpy of Vaporization: 110 kJ/mol; (23)Boiling Point: 755 °C at 760 mmHg; (24)Vapour Pressure: 1.11E-22 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(ccc1N(c2ccc(cc2)C)c3ccc(cc3)C)C7(c6ccc(N(c4ccc(cc4)C)c5ccc(cc5)C)cc6)CCCCC7
(2)InChI:InChI=1/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3
(3)InChIKey:ZOKIJILZFXPFTO-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3
(5)Std. InChIKey:ZOKIJILZFXPFTO-UHFFFAOYSA-N

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