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Cas Database |
| Name |
2-Pyridineacetonitrile, α-methyl-α-(phenylamino)- |
EINECS | N/A |
| CAS No. | 17424-73-6 | Density | 1.174 g/cm3 |
| PSA | 48.71000 | LogP | 3.00548 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H13N3 | Boiling Point | 392.2 °C at 760 mmHg |
| Molecular Weight | 223.27 | Flash Point | 191 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Anilino-2-pyridin-2-yl-propanenitrile;2-(Phenylamino)-2-(pyridin-2-yl)propanenitrile; |
Article Data | 3 |
2-Pyridineacetonitrile, α-methyl-α-(phenylamino)- Specification
The 2-Pyridineacetonitrile, α-methyl-α-(phenylamino)-, with the CAS registry number 17424-73-6, is also known as 2-Anilino-2-pyridin-2-yl-propanenitrile. This chemical's molecular formula is C14H13N3 and molecular weight is 223.27. What's more, its systematic name is 2-(phenylamino)-2-(pyridin-2-yl)propanenitrile.
Physical properties of 2-Pyridineacetonitrile, α-methyl-α-(phenylamino)- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.92 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 67.19 cm3; (9)Molar Volume: 190 cm3; (10)Polarizability: 26.63×10-24cm3; (11)Surface Tension: 52.7 dyne/cm; (12)Density: 1.174 g/cm3; (13)Flash Point: 191 °C; (14)Enthalpy of Vaporization: 64.19 kJ/mol; (15)Boiling Point: 392.2 °C at 760 mmHg; (16)Vapour Pressure: 2.33E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(Nc1ccccc1)(c2ncccc2)C
(2)InChI: InChI=1S/C14H13N3/c1-14(11-15,13-9-5-6-10-16-13)17-12-7-3-2-4-8-12/h2-10,17H,1H3
(3)InChIKey: NJYLPSJRWYRWLG-UHFFFAOYSA-N
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