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| CAS No.: | 54714-49-7 |
|---|---|
| Name: | DIISOPROPYLAMINOACETONITRILE |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C8H16N2 |
| Molecular Weight: | 140.228 |
| Synonyms: | Acetonitrile,[bis(1-methylethyl)amino]- (9CI);Diisopropylaminoacetonitrile;NSC 26718; |
| Density: | 0.865 g/cm3 |
| Boiling Point: | 204.7 °C at 760 mmHg |
| Flash Point: | 67.4 °C |
| Hazard Symbols: |
 C
|
| PSA: | 27.03000 |
| LogP: | 1.62878 |
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- Total:22 Page 1 of 1 1
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Specification
The Acetonitrile,2-[bis(1-methylethyl)amino]-, with the CAS registry number 54714-49-7, is also known as 2,3,4,9-Tetrahydro-1h-benzo[b]fluoren-5-olate. This chemical's molecular formula is C8H16N2 and molecular weight is 140.226. Its systematic name is called (dipropan-2-ylamino)acetonitrile. When you are using this chemical, please be cautious about it. It may destroy living tissue on contact.
Physical properties of Acetonitrile,2-[bis(1-methylethyl)amino]-: (1)ACD/LogP: 1.30; (2)#H bond acceptors: 2; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.439; (6)Molar Refractivity: 42.66 cm3; (7)Molar Volume: 161.9 cm3; (8)Surface Tension: 30 dyne/cm; (9)Density: 0.865 g/cm3; (10)Flash Point: 67.4 °C; (11)Enthalpy of Vaporization: 44.09 kJ/mol; (12)Boiling Point: 204.7 °C at 760 mmHg; (13)Vapour Pressure: 0.26 mmHg at 25°C.
Uses of Acetonitrile,2-[bis(1-methylethyl)amino]-: it can be used to produce [(5-chloro-3-oxo-3H-[1,2]dithiol-4-yl)-isopropyl-amino]-acetonitrile at temperature of 0 °C. This reaction will need reagent S2Cl2, DABCO, formic acid and solvent CHCl3 with reaction time of 3 days. The yield is about 20%.
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You can still convert the following datas into molecular structure:
(1)SMILES: N#CCN(C(C)C)C(C)C
(2)InChI: InChI=1/C8H16N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,6H2,1-4H3
(3)InChIKey: KRHUHTLKXFFVGB-UHFFFAOYAV