Azepan-4-one

Base Information

• Chemical Name: Azepan-4-one
• CAS No.: 105416-56-6
• Molecular Formula: C6H11 N O
• Molecular Weight: 113.159
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70363553
• Nikkaji Number: J472.324D
• Wikidata: Q72444400
• Mol file: 105416-56-6.mol

Synonyms:Azepan-4-one;105416-56-6;4H-AZEPIN-4-ONE, HEXAHYDRO-;4-oxohomopiperidine;4-perhydroazepinone;azepan-4-one, AldrichCPR;hexahydro-4 H-azepin-4-one;SCHEMBL165593;DTXSID70363553;Tetrahydro-1H-azepin-4(5H)-one;HEXAHYDRO-4H-AZEPIN-4-ONE;AKOS005207137;PB26051;SB30411;BS-26086;CS-0440296;FT-0647795;EN300-84527;Q-103573

Chemical Property of Azepan-4-one

Chemical Property:

• Vapor Pressure: 0.361mmHg at 25°C
• Refractive Index: 1.446
• Boiling Point: 198.4°Cat760mmHg
• PKA: 9.66±0.20(Predicted)
• Flash Point: 91.7°C
• PSA: 29.10000
• Density: 0.969g/cm³
• LogP: 0.65780
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 90.5

Purity/Quality:

99% ^*data from raw suppliers

Azepan-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CCNC1