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