Prl-8-53

C₁₈H₂₂ClNO₂CAS 51352-87-5319.83 g/mol

Open in Covalent MOL file

Ester Tertiary amine

Properties

Molecular formula: C₁₈H₂₂ClNO₂
Molar mass: 319.83 g/mol
Exact mass: 319.1339 Da
logP: 3.57Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

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

51352-87-5

SMILES

CN(CCC1=CC(=CC=C1)C(=O)OC)CC2=CC=CC=C2.Cl

InChIKey

HLBBSWSJLPLPRU-UHFFFAOYSA-N

InChI

InChI=1S/C18H21NO2.ClH/c1-19(14-16-7-4-3-5-8-16)12-11-15-9-6-10-17(13-15)18(20)21-2;/h3-10,13H,11-12,14H2,1-2H3;1H

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Work with Prl-8-53

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

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

Elsewhere

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