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

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

Weigh it out

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

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 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-253 % similar 2-Bromo-4'-methylacetophenone619-41-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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