2,5-Dihydro-1H-pyrrole hydrochloride

C₄H₈ClNCAS 63468-63-3105.56 g/mol

Open in Covalent MOL file

Alkene Secondary amine

Properties

Molecular formula: C₄H₈ClN
Molar mass: 105.56 g/mol
Exact mass: 105.0345 Da
logP: 0.57Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
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

63468-63-3

SMILES

C1C=CCN1.Cl

InChIKey

GBGHNSYFGCVGDX-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h1-2,5H,3-4H2;1H

Weigh it out

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

Names and synonyms

1 names

3-Pyrroline hydrochloride

Work with 2,5-Dihydro-1H-pyrrole 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-Pyrroline109-96-6Free base

Similar compounds

1,2,3,6-Tetrahydropyridine hydrochloride18513-79-661 % similar Diallylammonium chloride6147-66-650 % similar 1,2,3,6-Tetrahydropyridine694-05-344 % similar Cyclen tetrahydrochloride10045-25-740 % similar Piperazine hydrochloride142-64-340 % similar 1,4,7-Triazacyclononane trihydrochloride58966-93-140 % similar Azetidine hydrochloride36520-39-535 % similar Diallylamine124-02-733 % similar

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

Elsewhere

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