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CAS No.: | 2214-82-6 |
---|---|
Name: | bis(dimethylamino)acetonitrile |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H13N3 |
Molecular Weight: | 127.189 |
Synonyms: | Acetonitrile,bis(dimethylamino)- (7CI,8CI,9CI);Bis(dimethylamino)acetonitrile; |
EINECS: | 218-675-7 |
Density: | 0.936 g/cm3 |
Boiling Point: | 172.6 °C at 760 mmHg |
Flash Point: | 50.4 °C |
PSA: | 30.27000 |
LogP: | -0.04072 |
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The Acetonitrile,2,2-bis(dimethylamino)-, with the CAS registry number 2214-82-6, is also known as Acetonitrile, bis(dimethylamino)-. Its EINECS registry number is 218-675-7. This chemical's molecular formula is C6H13N3 and molecular weight is 127.1875. What's more, its IUPAC name 2,2-Bis(dimethylamino)acetonitrile.
Physical properties about Acetonitrile,2,2-bis(dimethylamino)- are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 47.27; (8)ACD/KOC (pH 7.4): 47.49; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.27 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 37.16 cm3; (15)Molar Volume: 135.8 cm3; (16)Polarizability: 14.73×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.936 g/cm3; (19)Flash Point: 50.4 °C; (20)Enthalpy of Vaporization: 40.9 kJ/mol; (21)Boiling Point: 172.6 °C at 760 mmHg; (22)Vapour Pressure: 1.32 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(N(C)C)N(C)C
(2) InChI: InChI=1/C6H13N3/c1-8(2)6(5-7)9(3)4/h6H,1-4H3
(3) InChIKey: YYIDBCAXHPPALW-UHFFFAOYAI