1-Cyanocyclohexane acetonitrile supplier

Name
1-Cyanocyclohexane acetonitrile
EINECS
CAS No. 4172-99-0
Article Data10
CAS DataBase
Density 1.009 g/cm³
Solubility
Melting Point 84-86 °C
Formula C₉H₁₂N₂
Boiling Point 319.74 °C at 760 mmHg
Molecular Weight 148.208
Flash Point 154.27 °C
Transport Information
Appearance White to Off-White Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Cyanocyclohexaneacetonitrile;1-Cyanomethyl-1-cyclohexanenitrile;
PSA 47.58000
LogP 2.37416

1-Cyanocyclohexane acetonitrile Specification

The 1-Cyanocyclohexane acetonitrile is an organic compound with the formula C₉H₁₂N₂. The systematic name of this chemical is 1-(cyanomethyl)cyclohexanecarbonitrile. With the CAS registry number 4172-99-0, it is also named as Gabapentin Related Bis-nitrile. The product's categories are Aromatic Nitriles; Heterocyclic Compounds; Intermediates & Fine Chemicals; Neurochemicals; Pharmaceuticals.

Physical properties about 1-Cyanocyclohexane acetonitrile are: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 73; (7)ACD/KOC (pH 7.4): 73; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 47.58 Å²; (11)Index of Refraction: 1.478; (12)Molar Refractivity: 41.565 cm³; (13)Molar Volume: 146.854 cm³; (14)Polarizability: 16.478×10^-24cm³; (15)Surface Tension: 42.945 dyne/cm; (16)Density: 1.009 g/cm³; (17)Flash Point: 154.27 °C; (18)Enthalpy of Vaporization: 56.135 kJ/mol; (19)Boiling Point: 319.74 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC1(CCCCC1)C#N
(2)InChI: InChI=1/C9H12N2/c10-7-6-9(8-11)4-2-1-3-5-9/h1-6H2
(3)InChIKey: CYMZDPHCBAWUHZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H12N2/c10-7-6-9(8-11)4-2-1-3-5-9/h1-6H2
(5)Std. InChIKey: CYMZDPHCBAWUHZ-UHFFFAOYSA-N

Product Name

1-Cyanocyclohexane acetonitrile

1-Cyanocyclohexane acetonitrile Specification

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