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
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
