≥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 | C1COC(=O)[C@@H]2[C@H]1CN(C2)CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | (3aR,7aS)-2-benzyl-1,3,3a,6,7,7a-hexahydropyrano[3,4-c]pyrrol-4-one |
| InChIKey | XLCRTPSFIQQHEF-OLZOCXBDSA-N |
| INCHI | 1S/C14H17NO2/c16-14-13-10-15(9-12(13)6-7-17-14)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m1/s1 |
| Molecular Weight | 231.29 |
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 Delta valerolactones Aralkylamines Oxanes N-alkylpyrrolidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Delta valerolactone - Delta_valerolactone - Aralkylamine - Oxane - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic 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 |
| Molecular Weight | 231.290 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 231.126 Da |
| Monoisotopic Mass | 231.126 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![Cis-2-Benzylhexahydropyrano[3,4-C]Pyrrol-4(2H)-One - ≥95% , CAS No.133745-53-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)