| Pubchem Sid | 504760591 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760591 |
| Canonical Smiles | C1=CC(=CC=C1C=CC(=O)O)N |
| IUPAC Name | (E)-3-(4-aminophenyl)prop-2-enoic acid |
| InChIKey | JOLPMPPNHIACPD-ZZXKWVIFSA-N |
| INCHI | 1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3+ |
| Isomeric SMILES | C1=CC(=CC=C1/C=C/C(=O)O)N |
| RTECS | UD3000000 |
| Alternate CAS | 17570-30-8 |
| Molecular Weight | 163.18 |
| Beilstein | 14(3)1305 |
| Reaxy-Rn | 1817838 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817838&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 | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Cinnamic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acids |
| Alternative Parents | Styrenes Aniline and substituted anilines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid - Aniline or substituted anilines - Styrene - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. |
| 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 |
|---|---|---|---|
 A2214281 | Certificate of Analysis | Oct 13, 2025 | A151768 |
| A2214282 | Certificate of Analysis | Oct 13, 2025 | A151768 |
| A2214362 | Certificate of Analysis | Oct 13, 2025 | A151768 |
| F2115255 | Certificate of Analysis | Mar 04, 2025 | A151768 |
| D2021096 | Certificate of Analysis | Jan 30, 2024 | A151768 |
| E2320354 | Certificate of Analysis | Dec 20, 2021 | A151768 |
| Solubility | Solubility in dilute HCl almost transparency; |
|---|---|
| Molecular Weight | 163.170 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 163.063 Da |
| Monoisotopic Mass | 163.063 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
