2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride
Basic information
- CAS
36376-47-3- Standard SMILES
Cc1[nH]cnc1CCN.Cl.Cl- InChIKey
BVJIXYJOFWYOBL-UHFFFAOYSA-N- Molecular formula
- C6H13Cl2N3
- Average molar mass
- 198.09 g/mol
- Monoisotopic mass
- 197.0486528
Names & identifiers
- Preferred name
- 2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride
- IUPAC
- 2-(5-methyl-1H-imidazol-4-yl)ethanamine;dihydrochloride
- English name
- 4-Methylhistamine dihydrochloride
- Molecular formula
- C6H14Cl2N3
- Molecular weight
- 199.10146
Names & synonyms
2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochlorideRefChem:458928664-073-636376-47-32-(4-methyl-1h-imidazol-5-yl)ethanamine dihydrochloride5-Methylhistamine dihydrochloride1H-Imidazole-4-ethanamine, 5-methyl-, dihydrochloride2-(5-methyl-1H-imidazol-4-yl)ethanamine;dihydrochloride4-Methyl Histamine Dihydrochloride5-(2-Aminoethyl)-4-methylimidazole Dihydrochloride2-(4-methyl-1H-imidazol-5-yl)ethanaminedihydrochlorideImidazole, 4-(2-aminoethyl)-5-methyl-, dihydrochloride
Show more names
SKF-715174-Methylhistamine di4-Methylhistamine DiHCl4-METHYLHISTAMINE DIHYDROCHLORIDE4-Methylhistamine (hydrochloride)Methylhistamine dihydrochloride, 4-2-(4-methyl-1H-imidazol-5-yl)ethanamine
4-Methylhistamine (dihydrochloride)MFCD017217965-Methyl-1H-imidazole-4-ethanamine dihydrochloride4-(2-Aminoethyl)-5-methylimidazole dihydrochloride4-Methylhistamine 2HCl4-Methyl Histamine DiHClSCHEMBL94563512-(5-methyl-1H-imidazol-4-yl)ethanamine,dihydrochloride
Database identifiers
- CAS
36376-47-3- PubChem CID
- 215819
- DTXSID
DTXSID80189903- ChEMBL
CHEMBL1411701- EC Number
- 664-073-6
Properties
Computed structural properties
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 84.4
Physicochemical properties
- Melting point
- 231 · 231-233℃ (ethanol )
- storage temp.
- Desiccate at RT
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- color
- White to Pale Beige
- Water Solubility
- 50 mM · Soluble to 50 mM in water
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Description4-Methylhistamine (dihydrochloride) is the potent agonist of histamine 4 receptor (H4R). 4-Methylhistamine (dihydrochloride) has the potential for the research of immune-related diseases such as cancer and autoimmune disorders.
UsesHistamine H2 receptor agonist, antagonist and antineoplastic agent on the in vitro growth of peripheral blood CFU-GM from normal individuals and HL-60 leukemia cells.
Related reactions
1 records
Compound notes
Loading…