1-Methyl-1H-imidazole-4-carboxamide (129993-47-1)

The 1-Methyl-1H-imidazole-4-carboxamide is an organic compound with the formula C₅H₇N₃O. The systematic name of this chemical is 1-methyl-1H-imidazole-4-carboxamide. With the CAS registry number 129993-47-1, it is also named as 1H-imidazole-4-carboxamide, 1-methyl-.

Physical properties about 1-Methyl-1H-imidazole-4-carboxamide are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 9.05; (4)ACD/KOC (pH 7.4): 9.34; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 60.91 Å²; (9)Index of Refraction: 1.619; (10)Molar Refractivity: 32.62 cm³; (11)Molar Volume: 92.9 cm³; (12)Polarizability: 12.93×10^-24cm³; (13)Surface Tension: 53.8 dyne/cm; (14)Density: 1.34 g/cm³; (15)Flash Point: 222.8 °C; (16)Enthalpy of Vaporization: 70.26 kJ/mol; (17)Boiling Point: 444.8 °C at 760 mmHg; (18)Vapour Pressure: 4.17E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)c1cn(C)cn1
(2)InChI: InChI=1/C5H7N3O/c1-8-2-4(5(6)9)7-3-8/h2-3H,1H3,(H2,6,9)
(3)InChIKey: AWDCMXSTPBEJMX-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H7N3O/c1-8-2-4(5(6)9)7-3-8/h2-3H,1H3,(H2,6,9)
(5)Std. InChIKey: AWDCMXSTPBEJMX-UHFFFAOYSA-N