Pyrazine Carboxamide Pyrazine Carboxamide
Structural formula
| Business number | 02EX |
|---|---|
| Molecular formula | C5H5N3O |
| Molecular weight | 123.11 |
| label |
pyrazinamide, Pyrazinecarboxamide, Pyrazinamide, pyrazinoic acid amide |
Numbering system
CAS number:98-96-4
MDL number:MFCD00006132
EINECS number:202-717-6
RTECS number:UQ2275000
BRN number:112306
PubChem number:24278648
Physical property data
1. Properties: Undetermined
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 189-191
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 30mmHg): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation Degree (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC) : Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Acute toxicity: Female oral TDL0: 10mg/kg; Rat oral LDL0: 3mg/kg; Mouse oral LDL0: 3mg/kg; Mouse peritoneal cavity LD50: 1680mg/kg; Mouse subcutaneous LD50: 2973mg. /kg; 2. Other multiple dose toxicity: Dog oral TDLo: 90mg/kg/90D-I; 3. Chronic toxicity/carcinogenicity: Mouse oral TDLo: 328mg/kg/78W-C; Mouse oral TDLo : 756mg/kg/30W-C; 4. Mutagenicity: Mutation microbial test: human lymphocytes, 300mg/L; Mutation test: mouse peritoneal cavity, 500 mg/kg; Cell generation analysis test: mouse peritoneal cavity, 250mg/kg; Sperm morphology test: mouse peritoneal cavity, 500mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 31.36
2. Molar volume (cm3/mol): 94.5
3. Isotonic specific volume (90.2K ): 270.0
4. Surface tension (dyne/cm): 66.4
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 12.43
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 68.9
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 115
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
Used as an anti-tuberculosis drug.