Acre hydrochloride 4-Amino-5-imidazolecarboxamide hydrochloride
Structural formula
| Business number | 01H0 |
|---|---|
| Molecular formula | C4H7ClN4O |
| Molecular weight | 162.58 |
| label |
4-amino-5-amine carbonyl hydrochloride, 4-Aminoimidazole-5-carbonamide hydrochloride, Acre hydrochloride, 4-Amino-5-imidazolecarboxamide hydrochloride, AICA, 4-Amino-5-imidazolecarboxamidhydrochloride, 4-Aminoimidazole-5-carboxamide hydrochoride |
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.
