-
Name
n-(m-aminophenyl)aniline
- EINECS
- CAS No. 5840-03-9
- Article Data12
- CAS DataBase
- Density 1.167 g/cm3
- Solubility
- Melting Point
- Formula C12H12N2
- Boiling Point 362 °C at 760 mmHg
- Molecular Weight 184.241
- Flash Point 203.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 38.05000
- LogP 3.66660
1,3-Benzenediamine,N1-phenyl- 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
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