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Name |
Benzenemethanamine,N-(4-nitrophenyl)- |
EINECS | 238-249-4 |
CAS No. | 14309-92-3 | Density | 1.258 g/cm3 |
PSA | 57.85000 | LogP | 3.80310 |
Solubility | N/A | Melting Point |
147 °C |
Formula | C13H12N2O2 | Boiling Point | 392 °C at 760 mmHg |
Molecular Weight | 228.25 | Flash Point | 190.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzylamine,N-(p-nitrophenyl)- (6CI,7CI,8CI);N-Benzyl-4-nitroaniline;N-Benzyl-p-nitroaniline;p-Nitro-N-benzylaniline; |
Article Data | 146 |
The CAS register number of Benzenemethanamine,N-(4-nitrophenyl)- is 14309-92-3. It also can be called as p-Nitro-N-benzylaniline and the IUPAC name about this chemical is N-benzyl-4-nitroaniline. The molecular formula about this chemical is C13H12N2O2 and the molecular weight is 228.2466.
Physical properties about Benzenemethanamine,N-(4-nitrophenyl)- are: (1)ACD/LogP: 3.57; (2)ACD/LogD (pH 5.5): 3.57; (3)ACD/LogD (pH 7.4): 3.57; (4)ACD/BCF (pH 5.5): 306.22; (5)ACD/BCF (pH 7.4): 306.22; (6)ACD/KOC (pH 5.5): 2094.63; (7)ACD/KOC (pH 7.4): 2094.64; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 49.06 Å2; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 66.89 cm3; (14)Molar Volume: 181.4 cm3; (15)Polarizability: 26.51x10-24cm3; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.258 g/cm3; (18)Flash Point: 190.9 °C; (19)Enthalpy of Vaporization: 64.17 kJ/mol; (20)Boiling Point: 392 °C at 760 mmHg; (21)Vapour Pressure: 2.36E-06 mmHg at 25 °C.
Preparation: this chemical can be prepared by benzaldehyde and 4-nitro-aniline. This reaction will need reagents of borane, triethylamine and solvents of acetic acid, CH2Cl2, tetrahydrofuran. The yield is about 76%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(NCc1ccccc1)cc2
(2)InChI: InChI=1/C13H12N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2
(3)InChIKey: QBSRKOBMKFOHOS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H12N2O2/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14H,10H2
(5)Std. InChIKey: QBSRKOBMKFOHOS-UHFFFAOYSA-N