![2-{[(2,5-Dimethoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione - CAS No(416884-56-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1031861.jpg)
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2-{[(2,5-Dimethoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione , CAS No.416884-56-5
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Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
Names and Identifiers
| Canonical Smiles | CC1(CC(=C(C(=O)C1)C=NC2=C(C=CC(=C2)OC)OC)O)C |
|---|---|
| IUPAC Name | 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one |
| InChIKey | KMQBMRWEISUFMY-UHFFFAOYSA-N |
| INCHI | 1S/C17H21NO4/c1-17(2)8-14(19)12(15(20)9-17)10-18-13-7-11(21-3)5-6-16(13)22-4/h5-7,10,19H,8-9H2,1-4H3 |
| Isomeric SMILES | CC1(CC(=C(C(=O)C1)C=NC2=C(C=CC(=C2)OC)OC)O)C |
| PubChem CID | 135449275 |
| Molecular Weight | 303.36 |
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 | 303.350 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 303.147 Da |
| Monoisotopic Mass | 303.147 Da |
| Topological Polar Surface Area | 68.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| 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 |
Solution Calculators
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