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| CAS No.: | 20440-92-0 |
|---|---|
| Name: | (4-Nitrophenyl)-di-p-tolylamine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C20H18N2O2 |
| Molecular Weight: | 318.37 |
| Synonyms: | Di-p-tolylamine,N-(p-nitrophenyl)- (6CI,8CI);Di-p-tolyl-N-(p-nitrophenyl)amine;4-Nitro-N,N-bis(4-methylphenyl)benzenamine; |
| Density: | 1.201 g/cm3 |
| Melting Point: | 162-163 °C |
| Boiling Point: | 483.8 °C at 760 mmHg |
| Flash Point: | 246.4 °C |
| PSA: | 49.06000 |
| LogP: | 6.20460 |
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Specification
The 4-Nitro-N,N-bis(4-methylphenyl)benzenamine with the CAS number 20440-92-0 is also called Benzenamine,N,N-bis(4-methylphenyl)-4-nitro-. Its molecular formula is C20H18N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 6.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.94; (4)ACD/LogD (pH 7.4): 6.94; (5)ACD/BCF (pH 5.5): 110800.04; (6)ACD/BCF (pH 7.4): 110800.04; (7)ACD/KOC (pH 5.5): 142056.17; (8)ACD/KOC (pH 7.4): 142056.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.06Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 96.29 cm3; (15)Molar Volume: 264.9 cm3; (16)Polarizability: 38.17×10-24cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Enthalpy of Vaporization: 74.89 kJ/mol; (19)Vapour Pressure: 1.63×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)N(c2ccc(C)cc2)c3ccc(cc3)[N+]([O-])=O
(2)InChI: InChI=1/C20H18N2O2/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)19-11-13-20(14-12-19)22(23)24/h3-14H,1-2H3
(3)InChIKey: QQPWXACSUPBIDW-UHFFFAOYAS