![5,5-Dimethyl-2-{[(3-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione , CAS No.64495-92-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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5,5-Dimethyl-2-{[(3-nitrophenyl)amino]methylidene}cyclohexane-1,3-dione , CAS No.64495-92-7
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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)[N+](=O)[O-])O)C |
|---|---|
| IUPAC Name | 3-hydroxy-5,5-dimethyl-2-[(3-nitrophenyl)iminomethyl]cyclohex-2-en-1-one |
| InChIKey | VOFHNXTWBFDPMY-UHFFFAOYSA-N |
| INCHI | 1S/C15H16N2O4/c1-15(2)7-13(18)12(14(19)8-15)9-16-10-4-3-5-11(6-10)17(20)21/h3-6,9,18H,7-8H2,1-2H3 |
| Isomeric SMILES | CC1(CC(=C(C(=O)C1)C=NC2=CC(=CC=C2)[N+](=O)[O-])O)C |
| PubChem CID | 135399536 |
| Molecular Weight | 288.3 |
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 | 288.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 288.111 Da |
| Monoisotopic Mass | 288.111 Da |
| Topological Polar Surface Area | 95.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| 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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