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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.
| Sonrisas canónicas | C1C2=CC=CC=C2CN1C(=O)CN |
|---|---|
| IUPAC Name | 2-amino-1-(1,3-dihydroisoindol-2-yl)ethanone |
| InChIKey | PJEVMIOUSWALSF-UHFFFAOYSA-N |
| INCHI | 1S/C10H12N2O/c11-5-10(13)12-6-8-3-1-2-4-9(8)7-12/h1-4H,5-7,11H2 |
| Peso molecular | 176.21 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Isoindolines Isoindoles Benzenoids Tertiary carboxylic acid amides Tertiary amines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - Isoindoline - Isoindole - Isoindole or derivatives - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Primary amine - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 176.210 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 176.095 Da |
| Monoisotopic Mass | 176.095 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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 |