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
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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