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5,5-Dimethyl-2-[(2-piperazin-1-yl-ethylamino)-methylene]-cyclohexane-1,3-dione , CAS No.299443-43-9

5,5-Dimethyl-2-[(2-piperazin-1-yl-ethylamino)-methylene]-cyclohexane-1,3-dione , CAS No.299443-43-9

Name: 5,5-Dimethyl-2-[(2-piperazin-1-yl-ethylamino)-methylene]-cyclohexane-1,3-dione , CAS No.299443-43-9
Brand: Aladdin Scientific
SKU: D1338600
Availability: InStock

CAS: 299443-43-9 Cat. No.: D1338600 Molecular Weight: 279.384 PubChem CID: 135442754

COA

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Specifications Names and Identifiers Documentation Advanced Data 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Storage

Room temperature

Shipped In

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Names and Identifiers

Canonical Smiles	CC1(CC(=C(C(=O)C1)C=NCCN2CCNCC2)O)C
IUPAC Name	3-hydroxy-5,5-dimethyl-2-(2-piperazin-1-ylethyliminomethyl)cyclohex-2-en-1-one
InChIKey	VTXCTEFCYHTCFN-UHFFFAOYSA-N
INCHI	1S/C15H25N3O2/c1-15(2)9-13(19)12(14(20)10-15)11-17-5-8-18-6-3-16-4-7-18/h11,16,19H,3-10H2,1-2H3
Isomeric SMILES	CC1(CC(=C(C(=O)C1)C=NCCN2CCNCC2)O)C
PubChem CID	135442754
Molecular Weight	279.384

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	279.380 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	279.195 Da
Monoisotopic Mass	279.195 Da
Topological Polar Surface Area	64.900 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	421.000
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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