Basic information
- CAS
65592-96-3- Standard SMILES
[NH3+]CCc1cnc[nH]1- InChIKey
NTYJJOPFIAHURM-UHFFFAOYSA-O- Molecular formula
- C5H10N3+
- Average molar mass
- 112.15 g/mol
- Monoisotopic mass
- 112.08692374
Overview
Histaminium is an ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen. It has a role as a mouse metabolite and a human metabolite. It is a conjugate acid of a histamine.
Names & identifiers
- Preferred name
- 2-(1H-Imidazol-5-yl)ethan-1-aminium
- IUPAC
- 2-(1H-imidazol-5-yl)ethylazanium
- English name
- 2-(3H-Imidazol-4-yl)-ethylamine
- Molecular formula
- C5H9N3.ClH
- Molecular weight
- 0
Names & synonyms
DTXSID209841712-(1H-Imidazol-5-yl)ethan-1-aminiumRefChem:1060702DTXCID20141139165592-96-3histaminium2-(1H-imidazol-5-yl)ethylazaniumhistaminium cation3rxh3bu1CHEBI:584322-(1H-imidazol-4-yl)ethanaminium
Show more names
2-(3H-Imidazol-4-yl)-ethylamine[2-(1H-Imidazol-5-yl)ethyl]amine dihydrochloride2-(1H-imidazol-5-yl)ethan-1-amine dihydrochloride
Q27125787
Database identifiers
- CAS
65592-96-3- PubChem CID
- 25201573
- DTXSID
DTXSID20984171- ChEBI
CHEBI:58432- Nikkaji
- J239.732C
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 1
- Complexity
- 64.7
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H334-H317
- Precautionary statements
- 261 · P261-P264-P301+P310-P302+P352
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301-H334-H317
- Precautionary statements
- P261-P264-P301+P310-P302+P352
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海相辉医药科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Histamine is a member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group. It has a role as a human metabolite, a mouse metabolite and a neurotransmitter. It is an aralkylamino compound and a member of imidazoles. It is a conjugate base of a histaminium.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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