promethazine hydrochloride promethazine hydrochloride

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:58-33-3

mdl number:mfcd00012652

einecs number:200-375-2

rtecs number:so8225000

brn number:4166397

pubchem number:24277802

physical property data

1. reference value for hydrophobic parameter calculation (xlogp):

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers:

6. topological molecular polar surface area (tpsa):6.5

7. number of heavy atoms: 21

8. surface charge: 0

9. complexity: 298

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 1

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 2

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 87.81

2. molar volume (m³/mol）：251.3

3. isotonic specific volume (90.2k12. no determine the number of atomic stereocenters: 1

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 2

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 87.81

2. molar volume (m³/mol）：251.3

3. isotonic specific volume (90.2k):647.7

4. surface tension (dyne/cm):44.1

5. polarizability（10^-24cm³): 34.81

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 31.8

7. number of heavy atoms: 21

8. surface charge: 0

9. complexity: 298

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

none

storage method

none

synthesis method

none

purpose

none

ial; mso-bidi-font-family: arial”>):647.7

4. surface tension (dyne/cm):44.1

5. polarizability（10^-24cm³): 34.81

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 31.8

7. number of heavy atoms: 21

8. surface charge: 0

9. complexity: 298

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

none

storage method

none

synthesis method

none

purpose

none