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| CAS No.: | 16093-82-6 |
|---|---|
| Name: | 1H-Imidazol-2-carboxamide |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C4H5N3O |
| Molecular Weight: | 111.103 |
| Synonyms: | Imidazole-2-carboxamide(8CI);2-Carbamoylimidazole; |
| Density: | 1.394 g/cm3 |
| Melting Point: | 312-313 °C (decomp) |
| Boiling Point: | 365.4 °C at 760 mmHg |
| Flash Point: | 174.8 °C |
| PSA: | 71.77000 |
| LogP: | 0.20890 |
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Specification
The 1H-Imidazole-2-carboxamide is an organic compound with the formula C4H5N3O. The IUPAC name of this chemical is 1H-Imidazole-2-carboxamide. With the CAS registry number 16093-82-6, it is also named as Imidazolcarboxamide. Besides, its molecular weight is 111.102.
Physical properties about 1H-Imidazole-2-carboxamide are: (1)ACD/LogP: -0.98; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -0.98; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.68; (7)ACD/KOC (pH 7.4): 7.02; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 38.13 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 27.7 cm3; (14)Molar Volume: 79.6 cm3; (15)Polarizability: 10.98×10-24 cm3; (16)Surface Tension: 76.2 dyne/cm; (17)Density: 1.394 g/cm3; (18)Flash Point: 174.8 °C; (19)Enthalpy of Vaporization: 61.17 kJ/mol; (20)Boiling Point: 365.4 °C at 760 mmHg; (21)Vapour Pressure: 1.58E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H5N3O/c5-3(8)4-6-1-2-7-4/h1-2H,(H2,5,8)(H,6,7)
(2)InChIKey: NMIZONYLXCOHEF-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C4H5N3O/c5-3(8)4-6-1-2-7-4/h1-2H,(H2,5,8)(H,6,7)
(4)Std. InChIKey: NMIZONYLXCOHEF-UHFFFAOYSA-N