3-Hydroxyazetidine hydrochloride

C₃H₈ClNOCAS 18621-18-6109.55 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₃H₈ClNO
Molar mass: 109.55 g/mol
Exact mass: 109.0294 Da
Melting point: 91–92 °C
logP: -0.63Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed84.6% of notifiers
H315 Causes skin irritation96.2% of notifiers
H318 Causes serious eye damage80.8% of notifiers
H319 Causes serious eye irritation15.4% of notifiers
H335 May cause respiratory irritation92.3% of notifiers

Aggregated from 52 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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

18621-18-6

SMILES

Cl.OC1CNC1

InChIKey

UQUPQEUNHVVNKW-UHFFFAOYSA-N

InChI

InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H

Weigh it out

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

Names and synonyms

5 names

3-Azetidinol, hydrochloride (1:1)
3-Azetidinol, hydrochloride
Azetidine-3-ol hydrochloride
Azetidin-3-ol hydrochloride
3-Hydroxyazetedine hydrochloride

Work with 3-Hydroxyazetidine 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.

3-Azetidinol45347-82-8Free base

Similar compounds

(R)-(-)-3-Pyrrolidinol hydrochloride104706-47-062 % similar (S)-3-Hydroxypyrrolidine hydrochloride122536-94-162 % similar 3-Hydroxypyrrolidine hydrochloride86070-82-862 % similar cis-3,4-Dihydroxypyrrolid...186393-21-558 % similar (R)-3-Hydroxypiperidine hydrocloride198976-43-157 % similar (S)-3-Hydroxypiperidine hydrochloride475058-41-457 % similar 3-Hydroxypiperidine hydrochloride64051-79-257 % similar 4-Hydroxypiperidinium chloride5382-17-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl acetimidate hydrochloride14777-27-6 O-Allylhydroxylamine hydrochloride38945-21-0 Aminoacetone hydrochloride7737-17-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook