Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Cyanocyclohexane acetonitrile |
EINECS | N/A |
CAS No. | 4172-99-0 | Density | 1.009 g/cm3 |
PSA | 47.58000 | LogP | 2.37416 |
Solubility | N/A | 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 | N/A | Appearance | White to Off-White Solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Cyanocyclohexaneacetonitrile;1-Cyanomethyl-1-cyclohexanenitrile; |
Article Data | 10 |
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