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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.
| Canonical Smiles | C#CCON.Cl |
|---|---|
| IUPAC Name | O-prop-2-ynylhydroxylamine;hydrochloride |
| InChIKey | CEFBXYRCGUITCZ-UHFFFAOYSA-N |
| INCHI | 1S/C3H5NO.ClH/c1-2-3-5-4;/h1H,3-4H2;1H |
| Isomeric SMILES | C#CCON.Cl |
| Molecular Weight | 107.54 |
| Reaxy-Rn | 4256647 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4256647&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Acetylides |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetylides |
| Alternative Parents | Organooxygen compounds Organic nitrogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetylide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon. |
| External Descriptors | Not available |
| Molecular Weight | 107.540 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 107.014 Da |
| Monoisotopic Mass | 107.014 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 51.200 |
| Isotope Atom Count | 0 |
| 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 | 2 |