Azetidin-3-one Hydrochloride

C₃H₆ClNOCAS 17557-84-5107.54 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₃H₆ClNO
Molar mass: 107.54 g/mol
Exact mass: 107.0138 Da
logP: -0.42Crippen 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

17557-84-5

SMILES

C1C(=O)CN1.Cl

InChIKey

RFBXEQYQSIJAJL-UHFFFAOYSA-N

InChI

InChI=1S/C3H5NO.ClH/c5-3-1-4-2-3;/h4H,1-2H2;1H

Weigh it out

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

Names and synonyms

1 names

3-Azetidinone hydrochloride

Work with Azetidin-3-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

3-Pyrrolidinone, hydrochloride (1:1)3760-52-962 % similar 4-Piperidone hydrochloride41979-39-952 % similar 3-Pyrrolidinone96-42-448 % similar 4-Piperidone hydrochloride hydrate320589-77-346 % similar Dimethyl iminodiacetate hydrochloride39987-25-244 % similar Azepan-4-one hydrochloride50492-22-344 % similar 8-Azabicyclo[3.2.1]octan-3-one hydrochloride25602-68-040 % similar 2,2,6,6-Tetramethyl-4-piperidone hydrochloride33973-59-038 % similar

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

Same formula

3-Chloropropanamide5875-24-1 Dimethylcarbamoyl chloride79-44-7 O-[(2E)-3-Chloro-2-propen-1-yl]hydroxylamine87851-77-2 2-Chloro-N-methylacetamide96-30-0

Elsewhere

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