Name: Trimethylethoxy malononitrile
SKU: 141458-79-9

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Basic Information

Molecular Structure:
CAS No.:	141458-79-9
Name:	Trimethylethoxy malononitrile

Formula:	C₈H₁₀N₂O
Molecular Weight:	150.18
Synonyms:	Propanedinitrile,(2,2-dimethyl-1-oxopropyl)- (9CI);
Density:	1.036 g/cm³
Boiling Point:	241.1 °C at 760 mmHg
Flash Point:	99.6 °C
PSA:	64.65000
LogP:	1.26496

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Specification

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