- Acetonitrile
- Acetonitrile, [methyl(3-methylphenyl)amino]- (9CI)
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Cas Database |
| Name |
Acetonitrile, [methyl(3-methylphenyl)amino]- (9CI) |
EINECS | N/A |
| CAS No. | 635683-12-4 | Density | 1.043 g/cm3 |
| PSA | 27.03000 | LogP | 1.95478 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H12N2 | Boiling Point | 291.791 °C at 760 mmHg |
| Molecular Weight | 160.219 | Flash Point | 124.119 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
[Methyl(3-methylphenyl)amino]acetonitrile;2-(N,3-Dimethylanilino)acetonitrile;Acetonitrile, 2-[methyl(3-methylphenyl)amino]-;N-Methyl-N-(cyanoethyl)-m-toluidine; |
Article Data | 34 |
Acetonitrile, [methyl(3-methylphenyl)amino]- (9CI) Specification
The Acetonitrile, [methyl(3-methylphenyl)amino]- (9CI) with CAS registry number of 635683-12-4 is also known as [Methyl(3-methylphenyl)amino]acetonitrile. The systematic name is 2-(N,3-Dimethylanilino)acetonitrile. It belongs to product categories of Aminetertiary. In addition, the formula is C10H12N2 and the molecular weight is 160.22.
Physical properties about Acetonitrile, [methyl(3-methylphenyl)amino]- (9CI) are: (1)ACD/LogP: 3.01; (2)ACD/LogD (pH 5.5): 3.007; (3)ACD/LogD (pH 7.4): 3.007; (4)ACD/BCF (pH 5.5): 113.493; (5)ACD/BCF (pH 7.4): 113.516; (6)ACD/KOC (pH 5.5): 1029.276; (7)ACD/KOC (pH 7.4): 1029.484; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.564; (11)Molar Refractivity: 49.938 cm3; (12)Molar Volume: 153.59 cm3; (13)Surface Tension: 43.757 dyne/cm; (14)Density: 1.043 g/cm3; (15)Flash Point: 124.119 °C; (16)Enthalpy of Vaporization: 53.125 kJ/mol; (17)Boiling Point: 291.791 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Cc1cccc(c1)N(C)CC#N
2. InChI: InChI=1/C10H12N2/c1-9-4-3-5-10(8-9)12(2)7-6-11/h3-5,8H,7H2,1-2H3
3. InChIKey: BUEKUEDTRSXUPQ-UHFFFAOYAD
4. Std. InChI: InChI=1S/C10H12N2/c1-9-4-3-5-10(8-9)12(2)7-6-11/h3-5,8H,7H2,1-2H3
5. Std. InChIKey: BUEKUEDTRSXUPQ-UHFFFAOYSA-N
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