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| CAS No.: | 35520-41-3 |
|---|---|
| Name: | 3-(DIMETHYLAMINO)ACRYLONITRILE |
| Molecular Structure: | |
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|
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| Formula: | C5H8N2 |
| Molecular Weight: | 96.1319 |
| Synonyms: | 2-Propenenitrile,3-(dimethylamino)-, (E)-;trans-3-(Dimethylamino)-2-propenenitrile;trans-3-(Dimethylamino)acrylonitrile;(2E)-3-(Dimethylamino)prop-2-enenitrile;(2E)-3-(Dimethylamino)acrylonitrile;β-(Dimethylamino)acrylonitrile; |
| EINECS: | 219-305-7 |
| Density: | 0.912 g/cm3 |
| Boiling Point: | 277.6 °C at 760 mmHg |
| Flash Point: | 131.9 °C |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 27.03000 |
| LogP: | 0.58528 |
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Specification
The 2-Propenenitrile,3-(dimethylamino)-, (2E)-, with the CAS registry number 35520-41-3, is also known as trans-3-(Dimethylamino)acrylonitrile. Its EINECS number is 219-305-7. It belongs to the product categories of C1 to C5; Cyanides/Nitriles; Nitrogen Compounds. This chemical's molecular formula is C5H8N2 and molecular weight is 96.13. What's more, its systematic name is (2E)-3-(Dimethylamino)prop-2-enenitrile.
Physical properties of 2-Propenenitrile,3-(dimethylamino)-, (2E)- are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.7; (7)ACD/KOC (pH 5.5): 26.25; (8)ACD/KOC (pH 7.4): 50.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 28.9 cm3; (15)Molar Volume: 105.3 cm3; (16)Polarizability: 11.45×10-24 cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.912 g/cm3; (19)Flash Point: 131.9 °C; (20)Enthalpy of Vaporization: 51.62 kJ/mol; (21)Boiling Point: 277.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00448 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C=CC#N
(2)InChI: InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3/b5-3+
(3)InChIKey: ZKKBIZXAEDFPNL-HWKANZROSA-N