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

Danger

H302 Harmful if swallowed95.2% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H332 Harmful if inhaled95.2% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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 Pyrrolidin-3-one hydrochloride3760-52-960 % 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 3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride904316-92-3

Elsewhere

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