2-ETHYL-2-METHYLBUTYRONITRILE

The 2-Ethyl-2-methyl-butanenitrile has the CAS registry number of 21864-76-6. This chemical's molecular formula is C₇H₁₃N and molecular weight is 111.18. What's more, its systematic name is 2-Ethyl-2-methylbutanenitrile.

Physical properties about the 2-Ethyl-2-methyl-butanenitrile are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.83; (6)ACD/BCF (pH 7.4): 14.83; (7)ACD/KOC (pH 5.5): 239.88; (8)ACD/KOC (pH 7.4): 239.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 34.35 cm³; (15)Molar Volume: 137.5 cm³; (16)Surface Tension: 27.1 dyne/cm; (17)Density: 0.808 g/cm³; (18)Flash Point: 36 °C; (19)Enthalpy of Vaporization: 39.07 kJ/mol; (20)Boiling Point: 154 °C at 760 mmHg; (21)Vapour Pressure: 3.25 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Propionitrile with Bromoethane. The reaction needs reagent NaNH₂ and solvent Diethyl ether.

When you are using this chemical, please be cautious about it as the following: 
It is toxic by inhalation, in contact with skin and if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).  In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(C)(CC)CC
(2) InChI: InChI=1/C7H13N/c1-4-7(3,5-2)6-8/h4-5H2,1-3H3
(3) InChIKey: SVVQGVDNIZXKCN-UHFFFAOYAV