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18301-86-5

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Basic Information
CAS No.: 18301-86-5
Name: 3-CYANOPROPYLTRIMETHYLSILANE
Article Data: 8
Molecular Structure:
Molecular Structure of 18301-86-5 (3-CYANOPROPYLTRIMETHYLSILANE)
Formula: C7H15NSi
Molecular Weight: 141.288
Synonyms: 3-Cyanopropyltrimethylsilane;4-(trimethylsilyl)butanenitrile;
Density: 0.815 g/cm3
Boiling Point: 181.1 °C at 760 mmHg
Flash Point: 63.3 °C
PSA: 23.79000
LogP: 2.62838
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Specification

The Butanenitrile,4-(trimethylsilyl)-, with the CAS registry number of 18301-86-5, is also known as 3-Cyanopropyltrimethylsilane. The molecular formula of this chemical is C7H15NSi and its molecular weight is 141.29. What's more, its systematic name is 4-(trimethylsilyl)butanenitrile.

Physical properties about Butanenitrile,4-(trimethylsilyl)- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.03; (6)ACD/BCF (pH 7.4): 26.03; (7)ACD/KOC (pH 5.5): 358.74; (8)ACD/KOC (pH 7.4): 358.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 43.1 cm3; (15)Molar Volume: 173.2 cm3; (16)Polarizability: 17.09×10-24 cm3; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 0.815 g/cm3; (19)Flash Point: 63.3 °C; (20)Enthalpy of Vaporization: 41.73 kJ/mol; (21)Boiling Point: 181.1 °C at 760 mmHg; (22)Vapour Pressure: 0.868 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCC[Si](C)(C)C
(2) InChI: InChI=1/C7H15NSi/c1-9(2,3)7-5-4-6-8/h4-5,7H2,1-3H3
(3) InChIKey: ZMEHBBQYHLCGKK-UHFFFAOYAJ