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| CAS No.: | 5840-03-9 |
|---|---|
| Name: | n-(m-aminophenyl)aniline |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C12H12N2 |
| Molecular Weight: | 184.241 |
| Synonyms: | 1,3-Benzenediamine,N-phenyl- (9CI);m-Phenylenediamine, N-phenyl- (7CI,8CI);3-Aminodiphenylamine;N-(m-Aminophenyl)aniline;N-Phenyl-1,3-benzenediamine;N-Phenyl-m-phenylenediamine;m-Aminodiphenylamine; |
| Density: | 1.167 g/cm3 |
| Boiling Point: | 362 °C at 760 mmHg |
| Flash Point: | 203.2 °C |
| PSA: | 38.05000 |
| LogP: | 3.66660 |
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- Total:13 Page 1 of 1 1
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Specification
This chemical is called 1,3-Benzenediamine, N1-phenyl-, and its systematic name is N-phenylbenzene-1,3-diamine. With the molecular formula of C12H12N2, its molecular weight is 184.24. The CAS registry number of this chemical is 5840-03-9.
Other characteristics of the 1,3-Benzenediamine, N1-phenyl- can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.683; (8)Molar Refractivity: 59.86 cm3; (9)Molar Volume: 157.7 cm3; (10)Polarizability: 23.73×10-24cm3; (11)Surface Tension: 53.4 dyne/cm; (12)Density: 1.167 g/cm3; (13)Flash Point: 203.2 °C; (14)Enthalpy of Vaporization: 60.79 kJ/mol; (15)Boiling Point: 362 °C at 760 mmHg; (16)Vapour Pressure: 1.99E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c2c(Nc1cccc(c1)N)cccc2
2.InChI: InChI=1/C12H12N2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H,13H2
3.InChIKey: VJTZHXQAZLGBHV-UHFFFAOYAI