histamine dihydrochloride
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.
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