![2-{[(4-Ethoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione , CAS No.228421-28-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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2-{[(4-Ethoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione , CAS No.228421-28-1
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Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | CCOC1=CC=C(C=C1)N=CC2=C(CC(CC2=O)(C)C)O |
|---|---|
| IUPAC Name | 2-[(4-ethoxyphenyl)iminomethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one |
| InChIKey | OEVRBOCQOHQKJM-UHFFFAOYSA-N |
| INCHI | 1S/C17H21NO3/c1-4-21-13-7-5-12(6-8-13)18-11-14-15(19)9-17(2,3)10-16(14)20/h5-8,11,19H,4,9-10H2,1-3H3 |
| Molecular Weight | 287.35 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 287.350 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 287.152 Da |
| Monoisotopic Mass | 287.152 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 443.000 |
| 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 |
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