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Structural formula

Physical competition number	014T
Molecular formula	C13H19NO9
Molecular weight	333.29
label	L-3,4-dihydroxy-alpha-((methylamino)methyl)benzyl alcohol D-bitartrate, C9H13NO3·C4H6O6

• 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:51-42-3

MDL number:MFCD00035077

EINECS number:200-097-1

RTECS number:DO3500000

BRN number:None

PubChem number:24277774

Physical property data

1. Characteristics: white crystalline powder. No odor and bitter taste.

2. Density (g/mL,25/4?): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC):147 -152

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (ºC=1, in water):-17

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. Oil and water (octanol/Log value of the partition coefficient of water:

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: soluble in water and ethanol, almost insoluble in chloroform and ether.

Toxicological data

1, acute toxicity: Rat subcutaneous LD50: 8300 ug/kg; rat intravenous LD50 : 82 ug/kg; mouse oral LD50: 4mg/kg; Mouse abdominal cavity LD50: 7800ug/kg;
Mouse subcutaneousLD50: 11100 ug/kg; Mouse vein LD50: 1780ug/kg; Frog parenteral LDLo: 800mg/kg
2 , and many others Metric toxicity: Rat subcutaneous TDLo: 76mg/kg/42D-I

3 ? Reproductive toxicity: Male small Mouse subcutaneous TDLo: 2400ug/kg, mated two days ago

4, mutagenicity: inhibitionTEST system of DNA: Rodent –Mouse cells –not otherwise specified: 1umol/L

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 8

3. Number of hydrogen bond acceptors: 10

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 10

6. Topological molecular polar surface area (TPSA):188

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 288

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 3

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15, Number of covalent bond units: 2

Properties and stability

None

Storage method

Seal and store in a dark place.

Synthesis method

None

Purpose

Biochemical research.

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