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| CAS No.: | 83-39-6 |
|---|---|
| Name: | IMIDAZOLE-4,5-DICARBOXAMIDE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C5H6N4O2 |
| Molecular Weight: | 154.128 |
| Synonyms: | Imidazole-4,5-dicarboxamide(6CI,7CI,8CI);Glycamide;Glycamide 12;Glycarbylamide; |
| Density: | 1.566 g/cm3 |
| Boiling Point: | 689.6 °C at 760 mmHg |
| Flash Point: | 370.9 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 114.86000 |
| LogP: | 0.00810 |
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- Total:10 Page 1 of 1 1
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Specification
The 1H-Imidazole-4,5-dicarboxamide, with the CAS registry number 83-39-6, is also known as Glycarbylamide. This chemical's molecular formula is C5H6N4O2 and molecular weight is 154.13. What's more, both its IUPAC name and systematic name are the same which is called 1H-Imidazole-4,5-dicarboxamide.
Physical properties about 1H-Imidazole-4,5-dicarboxamide are: (1) ACD/LogP: -2.12; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): -2.11; (4) ACD/LogD (pH 7.4): -2.13; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1.68; (8) ACD/KOC (pH 7.4): 1.62; (9) #H bond acceptors: 6; (10) #H bond donors: 5; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 58.44 Å2; (13) Index of Refraction: 1.667; (14) Molar Refractivity: 36.63 cm3; (15) Molar Volume: 98.3 cm3; (16) Surface Tension: 98.4 dyne/cm; (17) Density: 1.566 g/cm3; (18) Flash Point: 370.9 °C; (19) Enthalpy of Vaporization: 101.07 kJ/mol; (20) Boiling Point: 689.6 °C at 760 mmHg; (21) Vapour Pressure: 7.23E-19 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ncnc1C(=O)N)N
(2) InChI: InChI=1/C5H6N4O2/c6-4(10)2-3(5(7)11)9-1-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
(3) InChIKey: NNWAARLSYSBVPB-UHFFFAOYAZ