![2-{[(3-Methoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione - CAS No(64869-19-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/1/M1021769.jpg)
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2-{[(3-Methoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione , CAS No.64869-19-8
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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=CC(=CC=C2)OC)O)C |
|---|---|
| IUPAC Name | 3-hydroxy-2-[(3-methoxyphenyl)iminomethyl]-5,5-dimethylcyclohex-2-en-1-one |
| InChIKey | CVZSFRUAGCOITK-UHFFFAOYSA-N |
| INCHI | 1S/C16H19NO3/c1-16(2)8-14(18)13(15(19)9-16)10-17-11-5-4-6-12(7-11)20-3/h4-7,10,18H,8-9H2,1-3H3 |
| Isomeric SMILES | CC1(CC(=C(C(=O)C1)C=NC2=CC(=CC=C2)OC)O)C |
| PubChem CID | 135473481 |
| Molecular Weight | 273.33 |
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 | 273.330 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 273.136 Da |
| Monoisotopic Mass | 273.136 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 437.000 |
| 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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