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| CAS No.: | 67367-37-7 |
|---|---|
| Name: | PYRAZINE-2,3-DICARBOXYLIC ACID MONOAMIDE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H5N3O3 |
| Molecular Weight: | 167.124 |
| Synonyms: | Pyrazinecarboxylic acid, 3-(aminocarbonyl)-(9CI);Pyrazinoic acid, 3-carbamoyl- (6CI);3-Carbamoylpyrazine-2-carboxylic acid;2-pyrazinecarboxylic acid, 3-(aminocarbonyl)-; |
| Density: | 1.56 g/cm3 |
| Melting Point: | 156℃ (分解) |
| Boiling Point: | 464.4 °C at 760 mmHg |
| Flash Point: | 234.7 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 24/25 |
| PSA: | 106.17000 |
| LogP: | -0.02600 |
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- Total:19 Page 1 of 1 1
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Specification
The 2-Pyrazinecarboxylicacid, 3-(aminocarbonyl)-, with the CAS registry number 67367-37-7, has the systematic name of 3-carbamoylpyrazine-2-carboxylic acid. And the molecular formula of this chemical is C6H5N3O3. It belongs to the following product categories: Pyrazinecarboxylic Acid & Derivatives; Pyrazines. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The physical properties of 2-Pyrazinecarboxylicacid, 3-(aminocarbonyl)- are as following: (1)ACD/LogP: -2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.84; (4)ACD/LogD (pH 7.4): -5.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.39 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 38.29 cm3; (15)Molar Volume: 107.1 cm3; (16)Polarizability: 15.18×10-24cm3; (17)Surface Tension: 92.4 dyne/cm; (18)Density: 1.56 g/cm3; (19)Flash Point: 234.7 °C; (20)Enthalpy of Vaporization: 76.47 kJ/mol; (21)Boiling Point: 464.4 °C at 760 mmHg; (22)Vapour Pressure: 2.01E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nccnc1C(=O)N
(2)InChI: InChI=1/C6H5N3O3/c7-5(10)3-4(6(11)12)9-2-1-8-3/h1-2H,(H2,7,10)(H,11,12)
(3)InChIKey: VIBWYIDVHOAVJB-UHFFFAOYAR