≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
Substrate used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.
| Pubchem Sid | 504754458 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754458 |
| Canonical Smiles | C1CN(CC1=O)CC2=CC=CC=C2 |
| IUPAC Name | 1-benzylpyrrolidin-3-one |
| InChIKey | DHGMDHQNUNRMIN-UHFFFAOYSA-N |
| INCHI | 1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2 |
| Isomeric SMILES | C1CN(CC1=O)CC2=CC=CC=C2 |
| WGK Germany | 3 |
| Molecular Weight | 175.23 |
| Beilstein | 1526217 |
| Reaxy-Rn | 1526217 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526217&ln= |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Benzylamines Aralkylamines Pyrrolidine-3-ones N-alkylpyrrolidines Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Aralkylamine - Pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| 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 |
|---|---|---|---|
 I1416141 | Certificate of Analysis | Apr 15, 2026 | B121678 |
| H1809143 | Certificate of Analysis | Mar 20, 2026 | B121678 |
| H1809144 | Certificate of Analysis | Mar 20, 2026 | B121678 |
| G2416150 | Certificate of Analysis | Jun 18, 2024 | B121678 |
| G2416151 | Certificate of Analysis | Jun 18, 2024 | B121678 |
| G2416152 | Certificate of Analysis | Jun 18, 2024 | B121678 |
| G2403197 | Certificate of Analysis | Apr 13, 2024 | B121678 |
| G2403220 | Certificate of Analysis | Apr 13, 2024 | B121678 |
| Sensitivity | Air Sensitive,Heat Sensitive |
|---|---|
| Refractive Index | 1.5350 to 1.5390 |
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | >110℃(230°F) |
| Boil Point(°C) | 109°C/0.1mmHg |
| Melt Point(°C) | 77°C/0.01mmHg |
| Molecular Weight | 175.230 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 175.1 Da |
| Monoisotopic Mass | 175.1 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| 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 |
