5-Heptenenitrile,2,6-dimethyl- supplier

Name
2,6-dimethylhept-5-ene-1-nitrile
EINECS 258-968-7
CAS No. 54088-65-2
Article Data12
CAS DataBase
Density 0.835 g/cm³
Solubility
Melting Point
Formula C₉H₁₅N
Boiling Point 211.4 °C at 760 mmHg
Molecular Weight 137.225
Flash Point 87.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dimethylhept-5-enenitrile;
PSA 23.79000
LogP 2.89248

5-Heptenenitrile,2,6-dimethyl- Specification

The CAS registry number of 5-Heptenenitrile,2,6-dimethyl- is 54088-65-2. The IUPAC name is 2,6-Dimethylhept-5-ene-1-nitrile. And its EINECS registry number is 258-968-7. In addition, the formula is C₉H₁₅N and the molecular weight is 137.2221.

Physical properties about this chemical are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.77; (6)ACD/BCF (pH 7.4): 67.77; (7)ACD/KOC (pH 5.5): 711.66; (8)ACD/KOC (pH 7.4): 711.66; (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: 1.442; (14)Molar Refractivity: 43.51 cm³; (15)Molar Volume: 164.2 cm³; (16)Polarizability: 17.25 ×10^-24cm³; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 0.835 g/cm³; (19)Flash Point: 87.9 °C; (20)Enthalpy of Vaporization: 44.76 kJ/mol; (21)Boiling Point: 211.4 °C at 760 mmHg; (22)Vapour Pressure: 0.183 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(C)CC/C=C(/C)C
(2)InChI: InChI=1/C9H15N/c1-8(2)5-4-6-9(3)7-10/h5,9H,4,6H2,1-3H3
(3)InChIKey: BMVIJPTWXRECLB-UHFFFAOYAO

Product Name

2,6-dimethylhept-5-ene-1-nitrile

5-Heptenenitrile,2,6-dimethyl- Specification

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