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.
