Histamine dihydrochloride

Histamine dihydrochloride structural formula

Structural formula

Business number	0185
Molecular formula	C5H9N3•2HCl
Molecular weight	184.07
label	2-(4-Imidazolyl)ethylamine hydrochloride, 2-(4-Imidazolyl)ethylamine dihydrochloride

Numbering system

CAS number:56-92-8

MDL number:MFCD00012703

EINECS number:200-298-4

RTECS number:MS1575000

BRN number:3624116

PubChem number:24277777

Physical property data

1. Characteristics: colorless Prismatic crystal or white crystalline powder. Odorless. Has a salty taste. Sensitive to light and air. Hygroscopic.

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

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

4. Melting point (ºC): 244～246

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index:��OK

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Spontaneous ignition point or ignition Combustion temperature (ºC): not OK

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

12. Saturated vapor pressure ( kPa,60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol /Water) partition coefficient pair Value: Undetermined

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

18. Lower explosion limit (%,V/V): not OK

19. Solubility: Easy Soluble in water, methanol, ethanol and acetone, very slightly soluble in ether and chloroform. Aqueous solutions are acidic to litmus

Toxicological data

1, acute toxicity: rat abdominal cavity LD50: 1550mg/kg; rat via brain LD50: >28mg/kg; mouse Oral LD50: 2534mg/kg; mouse abdominal cavity LD50: 184mg/kg;
Mouse subcutaneous LDLo: 1300mg/kg; Mouse intravenous LD50: 370mg/kg; Rabbit intravenous LD50: 200mg/ kg; Guinea pig abdominal cavity LD50: 4602ug/kg;
Guinea pig parenteral LD50: 570ug/kg
2, reproductive toxicity: abdominal cavity of female mice TDLo: 2400mg/kg, 1-6 days after conception

Ecological data

None yet

Molecular structure data

1. Molar refractive index:31.86

2. Molar volume (m³/mol):97.4

3. isotonic specific volume (90.2K):266.6

4. Surface Tension (dyne/cm):56.0

5. Polarizability（10^-24cm³<SPAN style="FONT-SIZE: 9pt; FONT-FAMILY: Song Dynasty; mso-asci

Compute chemical data

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

2. Number of hydrogen bond donors: 4

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: 10

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: 3

Properties and stability

None yet

Storage method

This product should be sealed and stored in a dry and dark place.

Synthesis method

None yet

Purpose

Biochemical studies, determination of histamine substrates.