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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 | C1CN(C2=CC=CC=C21)C3=CC(=C(C=C3)N)C(=O)O |
|---|---|
| IUPAC Name | 2-amino-5-(2,3-dihydroindol-1-yl)benzoic acid |
| InChIKey | HPTTUHKADZTQGC-UHFFFAOYSA-N |
| INCHI | 1S/C15H14N2O2/c16-13-6-5-11(9-12(13)15(18)19)17-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,16H2,(H,18,19) |
| Peso molecular | 254.28 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Tertiary amines - Tertiary alkylarylamines |
| Direct Parent | Alkyldiarylamines |
| Alternative Parents | Aminobenzoic acids and derivatives Indoles and derivatives Benzoic acids Benzoyl derivatives Aniline and substituted anilines 1-carboxy-2-haloaromatic compounds Heterocyclic fatty acids Branched fatty acids Unsaturated fatty acids Vinylogous amides Pyrrolidines Trialkylamines Amino acids Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyldiarylamine - Aminobenzoic acid or derivatives - Indole or derivatives - Benzoic acid - Benzoic acid or derivatives - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Benzoyl - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Monocyclic benzene moiety - Vinylogous amide - Pyrrolidine - Amino acid - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group. |
| External Descriptors | Not available |
| Peso molecular | 254.280 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 254.106 Da |
| Monoisotopic Mass | 254.106 Da |
| Topological Polar Surface Area | 66.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 347.000 |
| 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 |