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
• 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: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, Reproductive toxicity: Rat oral TDLo: 1 mg/kg;

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.