Basic information
- Name:
Cyclohexaneacetonitrile,1-cyano-
- CAS No.:
4172-99-0
- Molecular Structure:
- Formula:
- C9H12N2
- Molecular Weight:
- 148.2
- Synonyms:
- 1-Cyanocyclohexaneacetonitrile;1-Cyanomethyl-1-cyclohexanenitrile;
- Density:
- 1.009 g/cm3
- Melting Point:
- 84-86 °C
- Boiling Point:
- 319.74 °C at 760 mmHg
- Flash Point:
- 154.27 °C
- Appearance:
- White to Off-White Solid
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The Cyclohexaneacetonitrile,1-cyano- 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 Cyclohexaneacetonitrile,1-cyano- 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