3-Cyclopentene-1-butanenitrile,2,2,3-trimethyl- supplier

Name
2,2,3-trimethylcyclopent-3-enebutyronitrile
EINECS 279-005-7
CAS No. 78904-51-5
Density 0.876 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₉N
Boiling Point 267.4 °C at 760 mmHg
Molecular Weight 177.28596
Flash Point 121.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2, 2, 3-Trimethyl-1-cyclopent-3-enyl)butanenitrile;
PSA 23.79000
LogP 3.67268

3-Cyclopentene-1-butanenitrile,2,2,3-trimethyl- Specification

The 3-Cyclopentene-1-butanenitrile, 2, 2, 3-trimethyl-, with the CAS registry number 78904-51-5, is also known as 4-(2, 2, 3-Trimethyl-1-cyclopent-3-enyl)butanenitrile. Its EINECS registry number is 279-005-7. This chemical's molecular formula is C₁₂H₁₉N and molecular weight is 177.28596. What's more, its IUPAC name is 4-(2, 2, 3-Trimethylcyclopent-3-en-1-yl)butanenitrile.

Physical properties about 3-Cyclopentene-1-butanenitrile, 2, 2, 3-trimethyl- are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 3.77; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 23.79 Å²; (9)Index of Refraction: 1.457; (10)Molar Refractivity: 55.19 cm³; (11)Molar Volume: 202.3 cm³; (12)Polarizability: 21.88×10^-24 cm³; (13)Surface Tension: 28.7 dyne/cm; (14)Density: 0.876 g/cm³; (15)Flash Point: 121.1 °C; (16)Enthalpy of Vaporization: 50.54 kJ/mol; (17)Boiling Point: 267.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00818 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C)C(C)=CCC1CCCC#N
(2) InChI: InChI=1/C12H19N/c1-10-7-8-11(12(10,2)3)6-4-5-9-13/h7,11H,4-6,8H2,1-3H3
(3) InChIKey: KYXOHLIIGUCRFA-UHFFFAOYAS

Product Name

2,2,3-trimethylcyclopent-3-enebutyronitrile

3-Cyclopentene-1-butanenitrile,2,2,3-trimethyl- Specification

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