structural formula

business number	018h
molecular formula	c21h22n2o2
molecular weight	334.42
label	horsetail acid, methacine, strychnine, strychnine, strychnin, sanaseed, stricnina, strychnos, rodenticide

• 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:57-24-9

mdl number:mfcd00005941

einecs number:200-319-7

rtecs number:wl2275000

brn number:52979

pubchem number:24899441

physical property data

1. characteristics: colorless powder

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

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

4. melting point (ºc): 284～286

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

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

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc): undetermined

13. burning heat (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of partition coefficient for water: undetermined

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

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

19. solubility: hardly soluble in water, insoluble in ethanol, ether, slightly soluble in benzene and chloroform.

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 93.15

2. molar volume (m³/mol）：234.8

3. isotonic specific volume (90.2k):674.1

4. surface tension (dyne/cm):67.9

5. polarizability（10^-24cm³): 36.92

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 0

5. number of tautomers:

6. topological molecular polar surface area (tpsa):32.8

7, number of heavy atoms: 25

8. surface charge: 0

9. complexity: 689

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 6

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: 1

properties and stability

none

storage method

none

synthesis method

extracted from the seeds of the plant strychnine.

purpose

for organic synthesis.

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