Sinomenine

Structural formula

• 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:115-53-7

MDL number:MFCD00134303

EINECS number:204-094-6

RTECS number:QD2170000

BRN number:None

PubChem number:24862546

Physical property data

1. Character: Undetermined SPAN>

2. Density (g/mL, 25℃): Undetermined

3. Relative vapor density (g/mL,Air =1) Undetermined:

4. Melting point (ºC):219- 221

5. Boiling point (ºC,normal pressure):513

6. Boiling point (ºC,KPa)：Undetermined

7. Refractive index （n20/D）：Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,38ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): 81.5

14. Critical temperature (ºC): Undetermined

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 89.46

2. Molar volume (m³/mol）：253.1

3. isotonic specific volume (90.2K):695.9

4. Surface Tension (dyne/cm):57.1

5. Polarizability（10^-24cm³):35.46

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 35

6. Topological molecule polar surface area 59

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 562

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

AvoidStrong oxidizing agent.

Storage method

Tightly sealed , and stored in a cool and dry place.

Synthesis method

None

Purpose

None

1. Reference value for hydrophobic parameter calculation (XlogP): 2.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 35

6. Topological molecule polar surface area 59

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 562

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

AvoidStrong oxidizing agent.

Storage method

Tightly sealed , and stored in a cool and dry place.

Synthesis method

None

Purpose

None