Acre hydrochloride 4-Amino-5-imidazolecarboxamide hydrochloride

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:72-40-2

MDL number:MFCD00012704

EINECS number:200-778-3

RTECS number:NI3911000

BRN number:3701645

PubChem number:24891305

Physical property data

1. Properties: White needle-like crystals.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 255-256 (decomposition)

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º ): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): 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: Soluble in water.

Toxicological data

Mutation in microorganismsTEST SYSTEM: 10 mmol/L/20H;

Ecological data

None

Molecular structure data

1. Molar refractive index: 31.94

2. Molar volume (cm³/mol): 81.9

3. Isotonic specific volume (90.2K ): 715.8

4. Surface tension (dyne/cm): 103.2

5. Polarizability (10-24cm3): 12.66

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Hydrogen bondNumber of receptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 13

6. Topological molecules Polar surface area 97.8

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 126

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 2

Properties and stability

Storage method

Store in a sealed, cool and dry place.

Synthesis method

None

Purpose

1. Pharmaceutical intermediates. Used in the production of nitridine and acarmine. Biochemical research. Nucleic acid synthesis.