Sinomenine

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Sinomenine structural formula

Structural formula

Business number 0382
Molecular formula C19H23NO4
Molecular weight 329.39
label

(9α,13α,14α)-7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methylmorphinan-6-one,

aromatic compounds

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. Polarizability10-24cm3):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

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