1H-Imidazole-4-carbonitrile (57090-88-7)

The 1H-Imidazole-4-carbonitrile with cas registry number of 57090-88-7, is also named 1H-Imidazole-4-carbonitrile(9CI) ; 1H-Imidazol-4-nitrile .The 1H-Imidazole-4-carbonitrile belongs to the following product categories: (1)pharmacetical; (2)Imidazoles & Benzimidazoles .

Physical properties of 1H-Imidazole-4-carbonitrile :(1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.62; (8)ACD/KOC (pH 7.4): 9.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.61 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 23.04 cm³; (15)Molar Volume: 72.1 cm³; (16)Polarizability: 9.13×10^-24cm³; (17)Surface Tension: 71.5 dyne/cm; (18)Enthalpy of Vaporization: 63.73 kJ/mol; (19)Vapour Pressure: 3.13E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:N#Cc1cncn1; (2)InChI:InChI=1/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)InChIKey:NWVGXXPWOYZODV-UHFFFAOYAT; (3)Std. InChI:InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7); (4)Std. InChIKey:NWVGXXPWOYZODV-UHFFFAOYSA-N.