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111873-32-6

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Basic Information
CAS No.: 111873-32-6
Name: CYANOPROPYL DIMETHYL DIMETHYLAMINO SILANE
Molecular Structure:
Molecular Structure of 111873-32-6 (CYANOPROPYL DIMETHYL DIMETHYLAMINO SILANE)
Formula: C8H18N2Si
Molecular Weight: 170.33
Synonyms: 3-Cyanopropyldimethyl(dimethylamino)silane;4-[Dimethylamino(dimethyl)silyl]butanenitrile;
Density: 0.864 g/cm3
Boiling Point: 216 °C at 760 mmHg
Flash Point: 84.4 °C
PSA: 27.03000
LogP: 2.05688
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Specification

The Butanenitrile,4-[(dimethylamino)dimethylsilyl]-, with the CAS registry number of 111873-32-6, is also known as 3-Cyanopropyldimethyl(dimethylamino)silane. The molecular formula of this chemical is C8H18N2Si and its molecular weight is 170.33. What's more, its IUPAC name is 4-[Dimethylamino(dimethyl)silyl]butanenitrile.

Physical properties about Butanenitrile,4-[(dimethylamino)dimethylsilyl]- are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.24; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 51.46 cm3; (15)Molar Volume: 196.9 cm3; (16)Polarizability: 20.4×10-24 cm3; (17)Surface Tension: 25.7 dyne/cm; (18)Density: 0.864 g/cm3; (19)Flash Point: 84.4 °C; (20)Enthalpy of Vaporization: 45.23 kJ/mol; (21)Boiling Point: 216 °C at 760 mmHg; (22)Vapour Pressure: 0.144 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCC[Si](N(C)C)(C)C
(2) InChI: InChI=1/C8H18N2Si/c1-10(2)11(3,4)8-6-5-7-9/h5-6,8H2,1-4H3
(3) InChIKey: NSKWHBNUWYCLGX-UHFFFAOYAD