Pyrazine Carboxamide Pyrazine Carboxamide

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.