diphenhydramine hydrochloride
Structural formula
| Business number | 03X4 |
|---|---|
| Molecular formula | C17H22NOCl |
| Molecular weight | 291.82 |
| label |
Dimethylaminoethanol diphenyl ether hydrochloride, 2-Diphenylmethoxy-N,N-dimethylethylamine hydrochloride |
Numbering system
CAS number:147-24-0
MDL number:MFCD00012479
EINECS number:205-687-2
RTECS number:KR7000000
BRN number:None
PubChem number:24277771
Physical property data
1. Physical property data:
1. Character：White crystalline powder.
2. Melting point (ºC): 168-172ºC
3. Solubility Easily soluble in water, easily soluble in ethanol or chloroformSoluble, slightly soluble in acetone, very slightly soluble in ether or benzene.
Toxicological data
2. Toxicological data: 1,
Rat oral TDLo: 39 mg/kg;
Mouse oral TDLo: 420 mg/kg;
Mouse oral TDLo: 4200 mg/kg.
Ecological data
3. Ecological data:
Other harmful Effect: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index:79.56
2. Molar volume (m3/mol):249.2
3. Isotonic specific volume (90.2K): 621.4
4. Surface tension (dyne/cm): 38.6
5. Polarizability（10-24 cm3):31.54
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Hydrogen bondmso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>5. Molecular property data:
1. Molar refractive index:79.56
2. Molar volume (m3/mol):249.2
3. Isotonic specific volume (90.2K): 621.4
4. Surface tension (dyne/cm): 38.6
5. Polarizability（10-24 cm3):31.54
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: 2
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 12.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 211
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Stable under normal temperature and pressure.
Storage method
Seal and store in a dry and cool place.
Synthesis method
None
Purpose
This product is a derivative of ethanolamine, which can compete with the histamine released from tissues for H1 receptors on effector cells, thereby preventing the onset of allergic reactions. Relieve the spasmodogenic and congestion-inducing effects of histamine. In addition, this product also has a strong anti-emetic effect.
Number of isomers: 2
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: None
6. Topological molecular poles Surface area 12.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 211
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13 .Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 2
Properties and stability
Stable under normal temperature and pressure.
Storage method
Seal and store in a dry and cool place.
Synthesis method
None
Purpose
This product is a derivative of ethanolamine, which can compete with the histamine released from tissues for H1 receptors on effector cells, thereby preventing the onset of allergic reactions. Relieve the spasmodogenic and congestion-inducing effects of histamine. In addition, this product also has a strong anti-emetic effect.