dl-β-(3,4-dihydroxyphenyl)alanine dl-β-(3,4-dihydroxypheny) alanine

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:63-84-3

mdl number:mfcd00063060

einecs number:200-566-0

rtecs number:ay5250000

brn number:3204800

pubchem number:24894298

physical property data

1. characteristics: white needles shape or prismatic crystals. sensitive to light. easy to oxidize.

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

3. relative vapor density ( g/ml,air =1): not ok

4. melting point (ºc): 270～272℃ (decomposition)

5. boiling point (ºc,normal pressure): not ok

6. boiling point (ºc,5.2kpa): not ok

7. refractive index: not ok

8. flashpoint (ºc): undetermined

9. specific optical rotation ( º): undetermined

10. spontaneous ignition point or ignition combustion temperature (ºc) : undetermined

11. vapor pressure (kpa,25ºc): not ok

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

19. solubility: easy soluble in dilute acid and dilute alkali, soluble in water (140mg/ 40ml), slightly soluble in benzene and carbon disulfide, almost insoluble in absolute ethanol, ether, chloroform, ice acetate and petroleum ether.

toxicological data

acute toxicity: mouse abdominal ld50: 500 mg/kg;

ecological data

none yet

molecular structure data

1. molar refractive index:49.25

2. molar volume (m³/mol）：134.2

3. isotonic specific volume (90.2k):401.8

4. surface tension (dyne/cm):80.2

5. polarizability（10^-24cm³):19.52

compute chemical data

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

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 3

5. number of tautomers: 18

6. topological molecule polar surface area 104

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 209

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be stored in a dry and dark place filled with argon gas.

synthesis method

none yet

purpose

for organic synthesis. biochemical research.

: arial”>m³/mol):134.2

3. isotonic specific volume (90.2k):401.8

4. surface tension (dyne/cm):80.2

5. polarizability（10^-24cm³):19.52

compute chemical data

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

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 3

5. number of tautomers: 18

6. topological molecule polar surface area 104

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 209

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be stored in a dry and dark place filled with argon gas.

synthesis method

none yet

purpose

for organic synthesis. biochemical research.

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