| Pubchem Sid | 488180507 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180507 |
| Sonrisas canónicas | C1=CC=C(C=C1)CCC(=O)N |
| IUPAC Name | 3-phenylpropanamide |
| InChIKey | VYIBCOSBNVFEIW-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11) |
| Isómeros SMILES | C1=CC=C(C=C1)CCC(=O)N |
| RTECS | MW4905500 |
| PubChem CID | 7625 |
| Peso molecular | 149.19 |
| Beilstein | 9(4)1763 |
| Reaxy-Rn | 1937271 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Fatty amides Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Fatty acyl - Fatty amide - Monocyclic benzene moiety - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E2312545 | Certificate of Analysis | May 06, 2023 | P160460 |
| E2312546 | Certificate of Analysis | May 06, 2023 | P160460 |
| E2312552 | Certificate of Analysis | May 06, 2023 | P160460 |
| E2312561 | Certificate of Analysis | May 06, 2023 | P160460 |
| E2312568 | Certificate of Analysis | May 06, 2023 | P160460 |
| E2312574 | Certificate of Analysis | May 06, 2023 | P160460 |
| Punto de fusión (°C) | 101 °C |
|---|---|
| Peso molecular | 149.190 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 149.084 Da |
| Monoisotopic Mass | 149.084 Da |
| Topological Polar Surface Area | 43.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 128.000 |
| 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 |
| 1. Jing Yu, Ruilin Xie, Mengyuan Zhang, Kaixiang Shen, Yuxuan Yang, Xiaodan Zhao, Xin Zhang, Yanfeng Zhang, Yilong Cheng. (2023) Molecular architecture regulation for the design of instant and robust underwater adhesives. Science Advances, 9 (22): [PMID:37267351] [10.1126/sciadv.adg4031] |
