for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Histamine-α,α,β,β-d4 Dihydrochloride is a deuterated analog of histamine, which is present in most mammalian tissues primarily stored in basophils and mast cells. This compound exhibits multiple biological effects through at least 3 specific receptors and induces vasodilation and bronchoconstriction snd stimulates gastric acid secretion.
| Canonical Smiles | C1=C(NC=N1)CCN |
|---|---|
| IUPAC Name | 1,1,2,2-tetradeuterio-2-(1H-imidazol-5-yl)ethanamine |
| InChIKey | NTYJJOPFIAHURM-LNLMKGTHSA-N |
| INCHI | 1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/i1D2,2D2 |
| Isomeric SMILES | [2H]C([2H])(C1=CN=CN1)C([2H])([2H])N |
| Molecular Weight | 188.09 |
| Reaxy-Rn | 878384 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878384&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Primary amines |
| Direct Parent | 2-arylethylamines |
| Alternative Parents | Aralkylamines Imidazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-arylethylamine - Aralkylamine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 230-236° C |
| Molecular Weight | 115.170 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 115.105 Da |
| Monoisotopic Mass | 115.105 Da |
| Topological Polar Surface Area | 54.700 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 64.700 |
| Isotope Atom Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
