≥98% 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.
| Pubchem Sid | 488185926 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185926 |
| Canonical Smiles | C1=CC=C(C=C1)CNC2=CC=CC=C2C(=O)O |
| IUPAC Name | 2-(benzylamino)benzoic acid |
| InChIKey | JGQKORRBYIBYOF-UHFFFAOYSA-N |
| INCHI | 1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17) |
| Isomeric SMILES | C1=CC=C(C=C1)CNC2=CC=CC=C2C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 227.26 |
| Beilstein | 14(3)906 |
| Reaxy-Rn | 649197 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=649197&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 | Phenylbenzamines |
| Alternative Parents | Aminobenzoic acids Benzoic acids Phenylalkylamines Benzylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylbenzamine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Benzylamine - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Vinylogous amide - Amino acid - Amino acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. |
| 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 |
|---|---|---|---|
 H2331561 | Certificate of Analysis | Sep 07, 2023 | N135876 |
| H2331570 | Certificate of Analysis | Sep 07, 2023 | N135876 |
| H2331567 | Certificate of Analysis | Sep 07, 2023 | N135876 |
| H2331572 | Certificate of Analysis | Sep 07, 2023 | N135876 |
| H2331573 | Certificate of Analysis | Sep 07, 2023 | N135876 |
| H2331574 | Certificate of Analysis | Sep 07, 2023 | N135876 |
| H2331575 | Certificate of Analysis | Sep 07, 2023 | N135876 |
| H2331577 | Certificate of Analysis | Sep 07, 2023 | N135876 |
| Melt Point(°C) | 171 °C |
|---|---|
| Molecular Weight | 227.260 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 227.095 Da |
| Monoisotopic Mass | 227.095 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| 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 |
