BDMAEE

Structural formula

Business number	051H
Molecular formula	C14H16O9
Molecular weight	328.27
label	Adiphyllin; Saxifrage; Bergamot;, Antitussive and expectorant

• 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:477-90-7

MDL number:MFCD00167248

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White loose needle-like crystals or crystalline powder

2. Density (g/m³, 25/4℃): Undetermined

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

4. Melting point (ºC): 238

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

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

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8. Flash point (ºC): Undetermined

9. Specific 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. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

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

19. Solubility: Easily soluble in water, soluble in ethanol

Toxicological data

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: 73.27

2. Molar volume (cm³/mol): 190.0

3. Isotonic specific volume (90.2K ): 595.7

4. Surface tension (dyne/cm): 96.5

5. Polarizability (10^-24cm³): 29.05

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -1

2. Number of hydrogen bond donors: 5

3. Number of hydrogen bond acceptors: 9

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecular polar surface area (TPSA): 146

7. Number of heavy atoms: 23

8.Surface charge: 0

9, Complexity: 458

10, Number of isotope atoms: 0

11, Determine the number of atomic stereocenters: 5

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Use and store according to specifications, no decomposition will occur, and avoid contact with oxides.

2.Odorless, bitter taste, It gradually changes color when exposed to light and heat.

Storage method

Brown glass bottle with light-sealed packaging. Store in low temperature and dry place.

Synthesis method

1. Extract the crude drug Saxifraga from rock cabbage as raw material. The specific process route is as follows:

Purpose

1. It is an antitussive and expectorant drug, used to treat chronic bronchitis.