chempirical

Azetidine hydrochloride

C3H8ClNCAS 36520-39-593.55 g/mol

Open in Covalent MOL file
NHHCl
Secondary amine

Properties

Molecular formula
C3H8ClN
Molar mass
93.55 g/mol
Exact mass
93.0345 Da
logP
0.40Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
36520-39-5
SMILES
C1CNC1.Cl
InChIKey
HGQULGDOROIPJN-UHFFFAOYSA-N
InChI
InChI=1S/C3H7N.ClH/c1-2-4-3-1;/h4H,1-3H2;1H

Weigh it out

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

Work with Azetidine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Azetidine503-29-7Free base

Similar compounds

Piperidinium chloride6091-44-777 % similar Cyclen tetrahydrochloride10045-25-767 % similar Piperazine hydrochloride142-64-367 % similar 1,4,8,12-Tetraazacyclopentadecane15439-16-467 % similar Cyclam295-37-467 % similar 1,4-Diazacycloheptane505-66-867 % similar 1,4,7-Triazacyclononane trihydrochloride58966-93-167 % similar Pyrrolidine123-75-158 % similar

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

Same formula

2-Propenylamine hydrochloride10017-11-5 Poly(allylamine hydrochloride)71550-12-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook