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3-Methyl-2,2-dipropan-2-yl-butanenitrile

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Name

3-Methyl-2,2-dipropan-2-yl-butanenitrile

EINECS N/A
CAS No. 55897-66-0 Density 0.817 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C11H21N Boiling Point 211.9 °C at 760 mmHg
Molecular Weight 167.2911 Flash Point 65 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55897-66-0 (3-methyl-2,2-di(propan-2-yl)butanenitrile) Hazard Symbols N/A
Synonyms

3-Methyl-2,2-di(propan-2-yl)butanenitrile;

Article Data 4

3-Methyl-2,2-dipropan-2-yl-butanenitrile Specification

The CAS registry number of 3-Methyl-2,2-dipropan-2-yl-butanenitrile is 55897-66-0. This chemical's molecular formula is C11H21N and molecular weight is 167.2911. What's more, its systematic name is called 3-Methyl-2,2-di(propan-2-yl)butanenitrile.

Physical properties about 3-Methyl-2,2-dipropan-2-yl-butanenitrile are: (1)ACD/LogP: 3.42; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 23.79 Å2; (7)Index of Refraction: 1.429; (8)Molar Refractivity: 52.76 cm3; (9)Molar Volume: 204.6 cm3; (10)Polarizability: 20.91×10-24 cm3 ; (11)Surface Tension: 26.7 dyne/cm; (12)Density: 0.817 g/cm3; (13)Flash Point: 65 °C; (14)Enthalpy of Vaporization: 44.82 kJ/mol; (15)Boiling Point: 211.9 °C at 760 mmHg; (16)Vapour Pressure: 0.178 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(C(C)C)(C(C)C)C(C)C
(2) InChI: InChI=1/C11H21N/c1-8(2)11(7-12,9(3)4)10(5)6/h8-10H,1-6H3
(3) InChIKey: RAPUVIJLMDIPPB-UHFFFAOYAY

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