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Name |
2-(2,2-Dimethyl-1-oxopropyl)propanedinitrile |
EINECS | N/A |
CAS No. | 141458-79-9 | Density | 1.036 g/cm3 |
PSA | 64.65000 | LogP | 1.26496 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10N2O | Boiling Point | 241.1 °C at 760 mmHg |
Molecular Weight | 150.18 | Flash Point | 99.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propanedinitrile,(2,2-dimethyl-1-oxopropyl)- (9CI); |
The 2-(2,2-Dimethyl-1-oxopropyl)propanedinitrile, with CAS registry number 141458-79-9, has the systematic name of (1-hydroxy-2,2-dimethylpropylidene)propanedinitrile. Besides this, it is also called Trimethylethoxy malononitrile. And the chemical formula of this chemical is C8H10N2O.
Physical properties of 2-(2,2-Dimethyl-1-oxopropyl)propanedinitrile: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 83.98; (7)ACD/KOC (pH 7.4): 3.22; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 67.81 Å2; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 40.18 cm3; (14)Molar Volume: 138.1 cm3; (15)Polarizability: 15.92×10-24cm3; (16)Surface Tension: 45.3 dyne/cm; (17)Enthalpy of Vaporization: 55.55 kJ/mol; (18)Vapour Pressure: 0.00632 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(C#N)=C(/O)C(C)(C)C
(2)InChI: InChI=1/C8H10N2O/c1-8(2,3)7(11)6(4-9)5-10/h11H,1-3H3
(3)InChIKey: UBCQVMFLSDHJIG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H10N2O/c1-8(2,3)7(11)6(4-9)5-10/h11H,1-3H3
(5)Std. InChIKey: UBCQVMFLSDHJIG-UHFFFAOYSA-N