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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