Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Methyl-1H-imidazole-4-carboxamide |
EINECS | N/A |
CAS No. | 129993-47-1 | Density | 1.34 g/cm3 |
PSA | 60.91000 | LogP | 0.21930 |
Solubility | N/A | Melting Point |
209-211 °C |
Formula | C5H7N3O | Boiling Point | 444.8 °C at 760 mmHg |
Molecular Weight | 125.13 | Flash Point | 222.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Methyl-1H-imidazole-4-carboxamide;1-MethyliMidazole-4-carboxaMide |
Article Data | 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