Azetidin-3-one Hydrochloride

C3H6ClNOCAS 17557-84-5107.54 g/mol

Open in Covalent MOL file
OHNHCl
KetoneSecondary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Pyrrolidin-3-one hydrochloride3760-52-962 % similar Piperidin-3-one hydrochloride61644-00-657 % 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

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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