Promethazine Hydrochloride Promethazine Hydrochloride

Structural formula

Business number	019F
Molecular formula	C17H20N2S•HCl
Molecular weight	320.88
label	10-(2-Dimethylamino-1-propyl)phenothiazine hydrochloride, 10-[2-(Dimethylamino)propyl]phenothiazine hydrochloride

• 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