DL-β-(3,4-Dihydroxyphenyl)alanine DL-β-(3,4-Dihydroxypheny) alanine

Structural formula

Business number	01CX
Molecular formula	C9H11NO4
Molecular weight	197.19
label	Phosphatidylcholine dipalmitate, 3-(3,4-Dihydroxyphenyl)-DL-alanine, DL-3-Hydroxytyrosine, DL-DOPA, 3-(3,4-Dihydroxyphenyl)-DL-alanine, (HO)2C6H3CH2CH(NH2)COOH

• 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

12.9pt; FONT-FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-font-kerning: 0pt; mso-bidi-font-family: Arial”>Explosion upper limit ( %,V/V ): Undetermined

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.

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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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