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.

extended-reading:https://www.bdmaee.net/catalyst-8154-nt-cat8154-polyurethane-catalyst-8154/
extended-reading:https://www.bdmaee.net/adhesion-improvement-additive-nt-add-as3228/
extended-reading:https://www.newtopchem.com/archives/44475
extended-reading:https://www.bdmaee.net/catalyst-8154/
extended-reading:https://www.newtopchem.com/archives/1830
extended-reading:https://www.morpholine.org/nn-dicyclohexylmethylamine/
extended-reading:https://www.cyclohexylamine.net/addocat-106-teda-l33b-dabco-polycat/
extended-reading:https://www.newtopchem.com/archives/938
extended-reading:https://www.bdmaee.net/wp-content/uploads/2021/05/137-4.jpg
extended-reading:https://www.newtopchem.com/archives/661