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strychnine

May 29, 2024by admin0

Strychnine structural formula

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): 284286


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. Polarizability10-24cm3): 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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