Azepan-4-one hydrochloride

C₆H₁₂ClNOCAS 50492-22-3149.62 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₆H₁₂ClNO
Molar mass: 149.62 g/mol
Exact mass: 149.0607 Da
logP: 0.75Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

50492-22-3

SMILES

C1CC(=O)CCNC1.Cl

InChIKey

WFTRLIZPJMFJER-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO.ClH/c8-6-2-1-4-7-5-3-6;/h7H,1-5H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Perhydroazepinone hydrochloride

Work with Azepan-4-one hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Piperidone hydrochloride41979-39-981 % similar 4-Piperidone hydrochloride hydrate320589-77-371 % similar Piperidin-3-one hydrochloride61644-00-668 % similar 4-Piperidinone41661-47-667 % similar 3-Pyrrolidinone, hydrochloride (1:1)3760-52-960 % similar 3-Pyrrolidinone96-42-448 % similar Cyclobutanone1191-95-345 % similar Cyclopentanone120-92-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methylpiperidin-4-one hydrochloride13729-77-6 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-168960-19-8 Chloro-N,N-diethylacetamide2315-36-8 4-(2-Chloroethyl)morpholine3240-94-6 3-Methylpiperidin-4-one hydrochloride4629-78-1 4-Aminocyclohexanone hydrochloride675112-40-0

Elsewhere

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