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| Name |
1H-Imidazole-5-carboxamide,2-amino-4-cyano- |
EINECS | N/A |
| CAS No. | 125815-68-1 | Density | 1.62 g/cm3 |
| PSA | 121.58000 | LogP | 0.24398 |
| Solubility | N/A | Melting Point |
322°C |
| Formula | C5H5N5O | Boiling Point | 608.3 °C at 760 mmHg |
| Molecular Weight | 151.128 | Flash Point | 321.7 °C |
| Transport Information | N/A | Appearance | Crystalline Solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1H-Imidazole-4-carboxamide,2-amino-5-cyano- (9CI);2-Amino-4-cyano-5-imidazolecarboxamide;2-amino-5-cyano-1H-imidazole-4-carboxamide; |
1H-Imidazole-5-carboxamide,2-amino-4-cyano- Specification
The 1H-Imidazole-5-carboxamide,2-amino-4-cyano-, with the CAS registry number 125815-68-1, has the systematic name of 2-amino-5-cyano-1H-imidazole-4-carboxamide. And the molecular formula of this chemical is C5H5N5O. It is a kind of crystalline solid, and belongs to the product categories: Amide; Various Intermediates; Heterocyclic; Intermediates. In addition, it is a useful synthetic intermediate.
The physical properties of 1H-Imidazole-5-carboxamide,2-amino-4-cyano- are as following: (1)# of Rule of 5 Violations: 1 ; (2)#H bond acceptors: 6; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 121.58 Å2; (6)Index of Refraction: 1.676; (7)Molar Refractivity: 35.02 cm3; (8)Molar Volume: 93 cm3; (9)Polarizability: 13.88×10-24cm3; (10)Surface Tension: 124.7 dyne/cm; (11)Density: 1.62 g/cm3; (12)Flash Point: 321.7 °C; (13)Enthalpy of Vaporization: 90.38 kJ/mol; (14)Boiling Point: 608.3 °C at 760 mmHg; (15)Vapour Pressure: 9.7E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C(#N)c1c(nc([nH]1)N)C(=O)N
(2)InChI: InChI=1/C5H5N5O/c6-1-2-3(4(7)11)10-5(8)9-2/h(H2,7,11)(H3,8,9,10)
(3)InChIKey: CPCUWIMIPGRPBE-UHFFFAOYAC
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