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CAS No.: | 10311-61-2 |
---|---|
Name: | N,N'-Di-(4-methyl-phenyl)-benzidine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C26H24N2 |
Molecular Weight: | 364.49 |
Synonyms: | Benzidine,N,N'-di-p-tolyl- (7CI,8CI);[1,1'-Biphenyl]-4,4'-diamine,N,N'-bis(4-methylphenyl)- (9CI);N,N'-Di(p-tolyl)benzidine;N,N'-Di-p-tolylbenzidine;N,N'-Di-(4-methylphenyl)benzidine; |
EINECS: | 1312995-182-4 |
Density: | 1.141 g/cm3 |
Melting Point: | 240 °C |
Boiling Point: | 562.5 °C at 760 mmHg |
Flash Point: | 355.6 °C |
PSA: | 24.06000 |
LogP: | 7.60360 |
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The [1,1'-Biphenyl]-4,4'-diamine,N4,N4'-bis(4-methylphenyl)-, with the CAS registry number 10311-61-2, has the systematic name of N,N'-bis(4-methylphenyl)biphenyl-4,4'-diamine. And the molecular formula of this chemical is C26H24N2. In addition, it is also called N,N'-Di-p-tolylbenzidine.
The physical properties of [1,1'-Biphenyl]-4,4'-diamine,N4,N4'-bis(4-methylphenyl)- are as following: (1)ACD/LogP: 7.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.26; (4)ACD/LogD (pH 7.4): 7.26; (5)ACD/BCF (pH 5.5): 195186.22; (6)ACD/BCF (pH 7.4): 195226.94; (7)ACD/KOC (pH 5.5): 213036.27; (8)ACD/KOC (pH 7.4): 213080.72; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 24.06 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 119.24 cm3; (15)Molar Volume: 319.3 cm3; (16)Polarizability: 47.27×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.141 g/cm3; (19)Flash Point: 355.6 °C; (20)Enthalpy of Vaporization: 84.56 kJ/mol; (21)Boiling Point: 562.5 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)Nc2ccc(cc2)c3ccc(cc3)Nc4ccc(C)cc4
(2)InChI: InChI=1/C26H24N2/c1-19-3-11-23(12-4-19)27-25-15-7-21(8-16-25)22-9-17-26(18-10-22)28-24-13-5-20(2)6-14-24/h3-18,27-28H,1-2H3
(3)InChIKey: YUPJJGHTTBDCIK-UHFFFAOYAZ