≥97% 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)CC2=CC=C(C=C2)[N+](=O)[O-])C |
|---|---|
| IUPAC Name | 5,5-dimethyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione |
| InChIKey | IGLOIBUWPRCLQJ-UHFFFAOYSA-N |
| INCHI | 1S/C12H13N3O4/c1-12(2)10(16)14(11(17)13-12)7-8-3-5-9(6-4-8)15(18)19/h3-6H,7H2,1-2H3,(H,13,17) |
| Isomeric SMILES | CC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)[N+](=O)[O-])C |
| PubChem CID | 1506699 |
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 Nitrobenzenes Nitroaromatic compounds N-acyl ureas Dicarboximides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - N-acyl urea - Ureide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - C-nitro compound - Carbonic acid derivative - Urea - Organic nitro compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Aromatic 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 | 263.250 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.091 Da |
| Monoisotopic Mass | 263.091 Da |
| Topological Polar Surface Area | 95.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| 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 |
