6,6-Dimethylazepane-2,4-dione

Base Information

• Chemical Name: 6,6-Dimethylazepane-2,4-dione
• CAS No.: 21455-90-3
• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.197
• European Community (EC) Number: 961-975-4
• DSSTox Substance ID: DTXSID60493156
• Wikidata: Q82339654
• Mol file: 21455-90-3.mol

Synonyms:6,6-Dimethylazepane-2,4-dione;21455-90-3;SCHEMBL304534;6,6-dimethylazepan-2,4-dione;DTXSID60493156;PCQIZHCFAKRVNL-UHFFFAOYSA-N;EN300-246159;6,6-dimethyl-1h-2,3,4,5,6,7-hexahydroazepine-2,4-dione

Chemical Property of 6,6-Dimethylazepane-2,4-dione

Chemical Property:

• PSA: 49.66000
• LogP: 0.76760
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 196

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)CC(=O)NC1)C

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