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2526-61-6

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Basic Information
CAS No.: 2526-61-6
Name: 2-Cyanoethylmethyldimethoxysilane
Molecular Structure:
Molecular Structure of 2526-61-6 (2-Cyanoethylmethyldimethoxysilane)
Formula: C6H13NO2Si
Molecular Weight: 159.26
Synonyms: Propionitrile,3-(dimethoxymethylsilyl)- (6CI,7CI,8CI);2-Cyanoethyldimethoxymethylsilane;3-[Dimethoxy(methyl)silyl]propionitrile;Cyanoethylmethyldimethoxysilane;
Density: 0.94 g/cm3
Boiling Point: 165.5 °C at 760 mmHg
Flash Point: 53.9 °C
PSA: 42.25000
LogP: 1.26488
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Specification

The 2-Cyanoethylmethyldimethoxysilane, with CAS registry number 2526-61-6, has the systematic name of 3-[dimethoxy(methyl)silyl]propanenitrile. And it is also called propanenitrile, 3-(dimethoxymethylsilyl)-. Its refractive index is 1.4192.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.65; (5)ACD/KOC (pH 7.4): 8.65; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 42.25 Å2; (10)Index of Refraction: 1.409; (11)Molar Refractivity: 41.96 cm3; (12)Molar Volume: 169.4 cm3; (13)Polarizability: 16.63×10-24cm3; (14)Surface Tension: 24.6 dyne/cm; (15)Enthalpy of Vaporization: 40.2 kJ/mol; (16)Vapour Pressure: 1.87 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: C[Si](CCC#N)(OC)OC
(2)InChI: InChI=1/C6H13NO2Si/c1-8-10(3,9-2)6-4-5-7/h4,6H2,1-3H3
(3)InChIKey: WKGYMMAZQLFVEB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H13NO2Si/c1-8-10(3,9-2)6-4-5-7/h4,6H2,1-3H3
(5)Std. InChIKey: WKGYMMAZQLFVEB-UHFFFAOYSA-N