histamine

Structural formula

Physical competition number	014W
Molecular formula	C5H9N3
Molecular weight	111.15
label	1H-imidazole-4-ethylamine, 2-Imidazoleethylamine, histamine, Beta-aminoethylimidazole, Beta-aminoethylglyoxaline, histamine, ergotamine, 2-Imidazol-4-ylethylamine, Eramine, Histamine, Free Base, 1H-Imidazole-4-ethanamine (9CI), Histamine (8CI)

• 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:51-45-6

MDL number:MFCD00005210

EINECS number:200-100-6

RTECS number:MS1050000

BRN number:2012

PubChem number:24895783

Physical property data

1. Properties: White needle-like crystals. Sensitive to air. Hygroscopic.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): Not determined

5. Boiling point (ºC, normal pressure): Not determined

6. Boiling point (ºC, 5.2kPa): Not determined Determined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturation Vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (% ,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Easily soluble in water, ethanol and hot chloroform , slightly soluble in ether.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 31.86

2. Molar volume (cm³/mol): 97.4

3. Isotonic specific volume (90.2K ): 266.6

4. Surface tension (dyne/cm)���56.0

5. Polarizability (10-24cm3): 12.63

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 54.7

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 64.7

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: 1

Properties and stability

None

Storage method

Seal and store in a cool place away from light.

Synthesis method

Can be produced by decarboxylation of histidine.

Purpose

It can cause smooth muscle spasm, capillary dilation, and increased permeability. In allergic diseases, there may be a release of histamine or similar substances in the body. In medical treatment, it is mainly used to promote gastric acid secretion to check the secretory function of the stomach.

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