≥95% 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.
| Canonical Smiles | CC1(C(=O)N(C(=O)N1)CCC#N)C |
|---|---|
| IUPAC Name | 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanenitrile |
| InChIKey | YVFPANAAHOFIGJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H11N3O2/c1-8(2)6(12)11(5-3-4-9)7(13)10-8/h3,5H2,1-2H3,(H,10,13) |
| Molecular Weight | 181.19 |
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 | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | Alpha amino acids and derivatives N-acyl ureas Dicarboximides Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - N-acyl urea - Ureide - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. |
| External Descriptors | Not available |
| Molecular Weight | 181.190 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 181.085 Da |
| Monoisotopic Mass | 181.085 Da |
| Topological Polar Surface Area | 73.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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 |
