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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CN1CCN(C1=O)C2=CC=CC(=C2)N |
|---|---|
| IUPAC Name | 1-(3-aminophenyl)-3-methylimidazolidin-2-one |
| InChIKey | BKKKYVAWUMMSGU-UHFFFAOYSA-N |
| INCHI | 1S/C10H13N3O/c1-12-5-6-13(10(12)14)9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3 |
| Isomeric SMILES | CN1CCN(C1=O)C2=CC=CC(=C2)N |
| Molecular Weight | 191.23 |
| Reaxy-Rn | 30343801 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30343801&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylimidazolidines |
| Alternative Parents | Aniline and substituted anilines Imidazolidinones Ureas Tertiary amines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylimidazolidine - Aniline or substituted anilines - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Tertiary amine - Urea - Azacycle - Amine - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 191.230 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.106 Da |
| Monoisotopic Mass | 191.106 Da |
| Topological Polar Surface Area | 49.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |