≥97%(HPLC)(N) 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186844 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186844 |
| Canonical Smiles | CC1=CC(=O)OC2=C1C=C3CCCN4C3=C2CCC4 |
| IUPAC Name | 6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one |
| InChIKey | XHXMPURWMSJENN-UHFFFAOYSA-N |
| INCHI | 1S/C16H17NO2/c1-10-8-14(18)19-16-12-5-3-7-17-6-2-4-11(15(12)17)9-13(10)16/h8-9H,2-7H2,1H3 |
| Isomeric SMILES | CC1=CC(=O)OC2=C1C=C3CCCN4C3=C2CCC4 |
| RTECS | DJ3320000 |
| Molecular Weight | 255.32 |
| Reaxy-Rn | 1220752 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1220752&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 | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | Hydroquinolines 1-benzopyrans Dialkylarylamines Pyranones and derivatives Aralkylamines Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Aralkylamine - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | 7-aminocoumarins |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2508301 | Certificate of Analysis | Jun 22, 2024 | C153961 |
| E2428131 | Certificate of Analysis | Sep 13, 2022 | C153961 |
| L2203405 | Certificate of Analysis | Sep 13, 2022 | C153961 |
| L2205019 | Certificate of Analysis | Sep 13, 2022 | C153961 |
| L2205026 | Certificate of Analysis | Sep 13, 2022 | C153961 |
| L2205027 | Certificate of Analysis | Sep 13, 2022 | C153961 |
| Melt Point(°C) | 151 °C |
|---|---|
| Molecular Weight | 255.310 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 255.126 Da |
| Monoisotopic Mass | 255.126 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 430.000 |
| 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. Ye Sun, Fengniu Lu, Hongwei Yang, Caifeng Ding, Zhiqin Yuan, Chao Lu. (2019) Fluorescent sensor array for separation-free dopamine analogue discrimination via polyethyleneimine-mediated self-polymerization reaction. Nanoscale, 11 (27): (12889-12897). [PMID:31245804] [10.1039/C9NR03643A] |
| 2. Chengyang Yang, Wenqing Ren, Junchao Qian, Feng Chen, Feng Cao. (2025) Study on the properties of biomass carbon quantum dots modified with diamine compounds and their application in iron ion detection. FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES, [PMID:] [10.1080/1536383X.2025.2450299] |
