Evodiamine

Structural formula

Business number	05C1
Molecular formula	C 19 H 17 N 3 O
Molecular weight	303.36
label	8,13,13b,14-Tetrahydro-14-methylindolo[2’3′-3,4]pyrido[2,1-b]quinazolin-5-[7H]-one

• 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:518-17-2

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Yellow flake crystal

2. Density (g/ cm³,25/4℃): Undetermined

3. Relative vapor density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC):278

5. Boiling point (ºC,Normal pressure):78-80

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive index: not OK

8. Flash Point (ºC): 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 the partition coefficient of water): Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Nearly insoluble in water

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Moore refraction Rate: 89.85

2、 Molar volume（m³/mol)：217.4

3、 Isotonic specific volume (90.2K):637.2

4、 Surface tension（dyne/cm):73.8

5、 Polarizability(10^-24cm³）：35.62

Compute chemical data

1. Hydrophobic parameters Calculate the reference value (XlogP):3.1

2. Hydrogen Bonding Number of donors: 1

3. Hydrogen Bonding Number of receptors: 2

4. Rotatable Number of chemical bonds: 0

5. Interchange Number of isomers:

6. Topological molecules Polar surface area (TPSA):39.3

7. Heavy Atom Quantity: 23

8. Surface Charge ：0

9. Complexity ：495

10. Isotope atomic number: 0

11. Determine the number of atomic stereocenters:1

12. Uncertain number of 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 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

Biosynthesized. The botanical source is the fruit of the Rutaceae plant Evodia and the same plant Shihu.

Purpose

Evodiamine is one of the main active ingredients of Evodia and has analgesic, blood pressure lowering and Pharmacological effects such as increased body temperature. Acts as a diuretic and diaphoretic agent.

Resource:allhdi.com