Basic information
- CAS
36507-31-0- Standard SMILES
Cc1[nH]cnc1CCN- InChIKey
UGYXPZQILZRKJJ-UHFFFAOYSA-N- Molecular formula
- C6H11N3
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.09529736
Overview
4-methylhistamine is an aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring. It has a role as a metabolite and a histamine agonist. It is a member of imidazoles and an aralkylamino compound. It is functionally related to a histamine.
Names & identifiers
- Preferred name
- 4-Methylhistamine
- IUPAC
- 2-(5-methyl-1H-imidazol-4-yl)ethanamine
- English name
- 4-methylhistamine
- Molecular formula
- C6H11N3
- Molecular weight
- 125.17
Names & synonyms
4-Methylhistamine36507-31-05-Methylhistamine2-(5-methyl-1H-imidazol-4-yl)ethanamine5(4)-Methylhistamine1H-Imidazole-4-ethanamine, 5-methyl-54ST71P9EECHEBI:74760DTXSID90957812RefChem:525602DTXCID902027982-(4-METHYL-1H-IMIDAZOL-5-YL)ETHANAMINE
Show more names
C0255664-Methylhistamine hydride5-Methyl-1H-imidazole-4-ethanamine1H-Imidazole-5-ethanamine,4-methyl-2-(5-Methyl-1H-imidazol-4-yl)-ethylamine
Methylhistamine-41H-Imidazo-4-ethanamine, 5-methyl-2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine5-(2-Aminoethyl)-4-methylimidazole2-(5-Methyl-4-imidazolyl)ethylamine2-(4-METHYL-1H-IMIDAZOL-5-YL)ETHAN-1-AMINEIMIDAZOLE, 4-(2-AMINOETHYL)-5-METHYL-UNII-54ST71P9EE
Database identifiers
- CAS
36507-31-0- PubChem CID
- 37463
- DTXSID
DTXSID90957812- ChEMBL
CHEMBL275443
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.4
Physicochemical properties
- FDA UNII
- 54 ST71P9EE · 54ST71P9EE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 38 reports by companies from 1 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 statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-Methylhistamine is a potent agonist of histamine 4 receptor (H4R). 4-Methylhistamine has the potential for the research of immune-related diseases such as cancer and autoimmune disorders[1][2].
Suppliers4 total
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: An aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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