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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