4-(Pyrrolidin-1-yl)phenacyl bromide

C₁₂H₁₄BrNOCAS 216144-18-2268.15 g/mol

Open in Covalent MOL file

Alkyl halide Ketone Tertiary amine

Properties

Molecular formula: C₁₂H₁₄BrNO
Molar mass: 268.15 g/mol
Exact mass: 267.0259 Da
logP: 2.86Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

216144-18-2

SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)CBr

InChIKey

WLRIUCQUMKJOGT-UHFFFAOYSA-N

InChI

InChI=1S/C12H14BrNO/c13-9-12(15)10-3-5-11(6-4-10)14-7-1-2-8-14/h3-6H,1-2,7-9H2

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Names and synonyms

1 names

Alpha-bromo-4-(1-pyrrolidino)acetophenone

Work with 4-(Pyrrolidin-1-yl)phenacyl bromide

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

1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-758 % similar 2′-Bromo-4-chloroacetophenone536-38-958 % similar 4-Bromophenacyl bromide99-73-055 % similar 4-(1-Pyrrolidinyl)benzoic acid22090-27-354 % similar Phenacyl bromide70-11-153 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-553 % similar 4-Fluorophenacyl bromide403-29-253 % similar 4-Methylphenacyl bromide619-41-053 % similar

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

Elsewhere

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