≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 504761963 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761963 |
| Canonical Smiles | C#CCNC(=O)N |
| IUPAC Name | prop-2-ynylurea |
| InChIKey | LJPYJRMMPVFEKR-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N2O/c1-2-3-6-4(5)7/h1H,3H2,(H3,5,6,7) |
| Isomeric SMILES | C#CCNC(=O)N |
| PubChem CID | 2777182 |
| Molecular Weight | 98.11 |
| Reaxy-Rn | 1745111 |
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 acids and derivatives |
| Class | Organic carbonic acids and derivatives |
| Subclass | Ureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ureas |
| Alternative Parents | Acetylides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Urea - Acetylide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2315427 | Certificate of Analysis | Nov 23, 2023 | P160546 |
| L2315428 | Certificate of Analysis | Nov 23, 2023 | P160546 |
| L2315429 | Certificate of Analysis | Nov 23, 2023 | P160546 |
| L2315430 | Certificate of Analysis | Nov 23, 2023 | P160546 |
| L2315444 | Certificate of Analysis | Nov 23, 2023 | P160546 |
| L2315445 | Certificate of Analysis | Nov 23, 2023 | P160546 |
| Melt Point(°C) | 127 °C |
|---|---|
| Molecular Weight | 98.100 g/mol |
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 98.048 Da |
| Monoisotopic Mass | 98.048 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 | 1 |
