Promethazine hydrochloride

Superiority:

Density 1.131 g/cm3
Boiling point 403.7 º C at 760 mmHg
Melting point 230-232 ° C
Molecular formula C17H21ClN2S
Molecular weight 320.880
Flash point 198 º C
Accurate quality 320.111389
PSA    31.78000
LogP    5.10640
Appearance: White or off white powder
Storage conditions: Refrigerator
Water solubility: completely dissolved; Easy to dissolve in: ethanol; Insoluble: Ether
molecular structure
5、 Molecular property data:

1. Molar refractive index: 87.81

2. Molar volume (m3/mol): 251.3

3. Waiting for Zhang Biarong (90.2K): 647.7

4. Surface tension (dyne/cm): 44.1

5. Polarization rate (10-24cm3): 34.81

computational chemistry
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 molecular polarity surface area 31.8

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 298

10. Number of isotopic 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

more
1. Reference value for calculating hydrophobic parameters (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 Polarity Surface Area (TPSA): 6.5

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 298

10. Number of isotopic 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. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 2

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