(+)-3-Pyrrolidinol

C4H9NOCAS 100243-39-887.12 g/mol

Open in Covalent MOL file
HONH
AlcoholSecondary amine

Properties

Molecular formula
C4H9NO
Molar mass
87.12 g/mol
Exact mass
87.0684 Da
logP
-0.66Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 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
100243-39-8
SMILES
O[C@H]1CCNC1
InChIKey
JHHZLHWJQPUNKB-BYPYZUCNSA-N
InChI
InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1

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

Names and synonyms

10 names
  • 3-Pyrrolidinol, (3S)-
  • 3-Pyrrolidinol, (S)-
  • (3S)-3-Pyrrolidinol
  • (S)-3-Pyrrolidinol
  • (S)-3-Hydroxypyrrolidine
  • (3S)-3-Hydroxypyrrolidine
  • (3S)-Pyrrolidinol
  • (S)-(+)-3-Pyrrolidinol
  • 3-(S)-Hydroxypyrrolidine
  • (3S)-Pyrrolidin-3-ol

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100243-39-8. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with (+)-3-Pyrrolidinol

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-Pyrrolidinol2799-21-5Enantiomer 3-Pyrrolidinol40499-83-0Stereo not defined (R)-(-)-3-Pyrrolidinol hydrochloride104706-47-0Salt, enantiomer (S)-3-Hydroxypyrrolidine hydrochloride122536-94-1Salt 3-Hydroxypyrrolidine hydrochloride86070-82-8Salt, stereo not defined

Similar compounds

3-Hydroxypiperidine6859-99-070 % similar Piperidin-4-ol5382-16-167 % similar (R)-3-Hydroxypiperidine hydrocloride198976-43-161 % similar (S)-3-Hydroxypiperidine hydrochloride475058-41-461 % similar 3-Hydroxypiperidine hydrochloride64051-79-261 % similar 4-Hydroxypiperidinium chloride5382-17-257 % similar 3-Azetidinol45347-82-856 % similar 3-Hydroxyazetidine hydrochloride18621-18-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-3-Aminotetrahydrofuran104530-79-2 1-Aziridineethanol1072-52-2 Butyraldoxime110-69-0 Morpholine110-91-8 3-Methoxy-azetidine110925-17-2 (R)-3-Aminotetrahydrofuran111769-26-7 N-Methylpropionamide1187-58-2 Dimethylacetamide127-19-5

Elsewhere

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