CAS No.55897-64-8,2-Isopropyl-2,3-dimethyl-butyronitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55897-64-8
Name:	2-Isopropyl-2,3-dimethyl-butyronitrile
Article Data:	4

Formula:	C₉H₁₇N
Molecular Weight:	139.241
Synonyms:	Butyronitrile,2-isopropyl-2,3-dimethyl- (6CI);2,3-Dimethyl-2-(1-methylethyl)butanenitrile;2-Isopropyl-2,3-dimethylbutyronitrile;
EINECS:	259-882-2
Density:	0.812 g/cm³
Boiling Point:	178.7 °C at 760 mmHg
Flash Point:	47.1 °C
PSA:	23.79000
LogP:	2.82828

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Specification

This chemical is called Butanenitrile, 2,3-dimethyl-2-(1-methylethyl)-, and it can also be named as 2-Isopropyl-2,3-dimethylbutyronitrile. With the molecular formula of C₉H₁₇N, its molecular weight is 139.24. The CAS registry number of this chemical is 55897-64-8.

Other characteristics of the Butanenitrile, 2,3-dimethyl-2-(1-methylethyl)- can be summarised as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.04; (6)ACD/BCF (pH 7.4): 50.04; (7)ACD/KOC (pH 5.5): 572.75; (8)ACD/KOC (pH 7.4): 572.75; (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: 1.422; (14)Molar Refractivity: 43.54 cm³; (15)Molar Volume: 171.2 cm³; (16)Polarizability: 17.26×10^-24cm³; (17)Surface Tension: 26.4 dyne/cm; (18)Density: 0.812 g/cm³; (19)Flash Point: 47.1 °C; (20)Enthalpy of Vaporization: 41.5 kJ/mol; (21)Boiling Point: 178.7 °C at 760 mmHg; (22)Vapour Pressure: 0.976 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
2.InChI: InChI=1/C9H17N/c1-7(2)9(5,6-10)8(3)4/h7-8H,1-5H3
3.InChIKey: XSQHUYDRSDBCHN-UHFFFAOYAP