Apocynin
Structural formula
| Business number | 05A8 |
|---|---|
| Molecular formula | C30H44O9 |
| Molecular weight | 548.67 |
| label |
None yet |
Numbering system
CAS number:508-77-0
MDL number:MFCD00003669
EINECS number:208-087-9
RTECS number:None
BRN number:101370
PubChem ID:None
Physical property data
1. Character: Undetermined
2. Density (g/ cm3,25/4℃): Undetermined
3. Relative vapor density (g/cm3,air =1): Undetermined
4. Melting point (ºC):148
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,8kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºF): Undetermined
9. Specific optical 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. Heat of combustion (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. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Undetermined
Toxicological data
1, acute toxicity: rat intravenouslyLD50: 20mg/kg, no details except lethal dose;
Mouse transabdominal LD50: 12mg/kg, no details except lethal dose;
Mouse transvenousLD50: 2800ug/kg, convulsion or epilepsy;
Mouse brainLD50：41ug/kg, convulsion or epilepsy;
Cat VeinLD50: 95ug/kg, no details except lethal dose;
Cat parenteral LD50: 110ug/kg, no details except lethal dose;
The Cat Classic Unknown PathLDLo: 110ug/kg, no details except lethal dose;
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1、 Molar refractive index:140.27
2、 Molar Volume（m3/mol)： 415.7
3、 Isotonic specific volume (90.2K):1154.1
4、 Surface tension（dyne/cm)：59.4
5、 Polarizability(10-24cm3）：55.61
Compute chemical data
1. Hydrophobic parameters Calculate the reference value (XlogP):0. 8
2. Hydrogen Bonding Number of donors: 3
3. Hydrogen Bonding Number of receptors: 9
4. Rotatable Number of chemical bonds: 5
5. Interchange Number of isomers:
6. Topological molecules Polar surface area (TPSA):132
7. Heavy Atom Quantity: 39
8. Surface charge ：0
9. Complexity ：1030
10. Isotope atomic number:0
11. Determine the number of atomic stereocenters:12
12. 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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored at 2-8°C in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None
