2-Hexenenitrile,3,5-dimethyl- supplier

Name
(Z)-3,5-dimethylhex-2-enenitrile
EINECS
CAS No. 14368-39-9
Density 0.833 g/cm³
Solubility
Melting Point
Formula C₈H₁₃N
Boiling Point 184.8 °C at 760 mmHg
Molecular Weight 123.198
Flash Point 65.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC29882;(Z)-3,5-dimethylhex-2-enenitrile;
PSA 23.79000
LogP 2.50238

2-Hexenenitrile,3,5-dimethyl- Specification

The CAS register number of 2-Hexenenitrile,3,5-dimethyl- is 14368-39-9. The IUPAC name about this chemical is (Z)-3,5-dimethylhex-2-enenitrile. The molecular formula about this chemical is C₈H₁₃N and the molecular weight is 123.19792.

Physical properties about 2-Hexenenitrile,3,5-dimethyl- are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 2.67; (4)ACD/BCF (pH 5.5): 63.45; (5)ACD/BCF (pH 7.4): 63.45; (6)ACD/KOC (pH 5.5): 678.92; (7)ACD/KOC (pH 7.4): 678.92; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.439; (12)Molar Refractivity: 38.88 cm³; (13)Molar Volume: 147.7 cm³; (14)Polarizability: 15.41x10^-24cm³; (15)Surface Tension: 27.8 dyne/cm; (16)Density: 0.833 g/cm³; (17)Flash Point: 65.1 °C; (18)Enthalpy of Vaporization: 42.11 kJ/mol; (19)Boiling Point: 184.8 °C at 760 mmHg; (20)Vapour Pressure: 0.719 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C=C(/C)CC(C)C
(2)InChI: InChI=1/C8H13N/c1-7(2)6-8(3)4-5-9/h4,7H,6H2,1-3H3/b8-4-
(3)InChIKey: KMZKRGSNSZTFDC-YWEYNIOJBP
(4)Std. InChI: InChI=1S/C8H13N/c1-7(2)6-8(3)4-5-9/h4,7H,6H2,1-3H3/b8-4-
(5)Std. InChIKey: KMZKRGSNSZTFDC-YWEYNIOJSA-N

Product Name

(Z)-3,5-dimethylhex-2-enenitrile

2-Hexenenitrile,3,5-dimethyl- Specification

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