1-amino-1-cyclopentacarboxylic acid

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:52-52-8

mdl number:mfcd00001381

einecs number:200-144-6

rtecs number:gy2625000

brn number:636626

pubchem number:24846087

physical property data

1. properties: white crystal.

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 328-329

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, 5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined determined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): 1.68mpa

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. lower explosion limit (%, v/v): undetermined

19. solubility: soluble in water.

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 32.62

2. molar volume (cm³/mol): 106.9

3. isotonic specific volume (90.2k ): 288.8

4. surface tension (dyne/cm): 53.2

5. polarizability (10-24cm3): 12.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 63.3

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 127

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertainty principle�number of 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: 1

properties and stability

none yet

storage method

should be stored sealed in a cool, dry place.

synthesis method

none yet

purpose

for biochemical research. the hydrochloride salt of this product has antitumor and antimalarial effects.

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