acre 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.

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