≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Pubchem Sid | 504767320 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767320 |
| Canonical Smiles | COC(=O)CC1=CC(=CC=C1)N |
| IUPAC Name | methyl 2-(3-aminophenyl)acetate |
| InChIKey | BVKGNQRDVFGNIW-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6,10H2,1H3 |
| Isomeric SMILES | COC(=O)CC1=CC(=CC=C1)N |
| Molecular Weight | 165.2 |
| Reaxy-Rn | 3243993 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3243993&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 | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| 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 |
|---|---|---|---|
 I2305560 | Certificate of Analysis | Jun 15, 2026 | M184999 |
| I2305587 | Certificate of Analysis | Jun 15, 2026 | M184999 |
| I2305588 | Certificate of Analysis | Jun 15, 2026 | M184999 |
| F2308001 | Certificate of Analysis | Mar 11, 2026 | M184999 |
| F2308002 | Certificate of Analysis | Mar 11, 2026 | M184999 |
| F2308003 | Certificate of Analysis | Mar 11, 2026 | M184999 |
| F2308113 | Certificate of Analysis | Mar 11, 2026 | M184999 |
| F2307675 | Certificate of Analysis | May 08, 2023 | M184999 |
| F2308107 | Certificate of Analysis | May 08, 2023 | M184999 |
| F2308108 | Certificate of Analysis | May 08, 2023 | M184999 |
| F2308109 | Certificate of Analysis | May 08, 2023 | M184999 |
| Molecular Weight | 165.190 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 165.079 Da |
| Monoisotopic Mass | 165.079 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| 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 |
