chempirical

Bansyl compound

C18H24ClNO2SCAS 43040-76-2353.91 g/mol

Open in Covalent MOL file
NSOOCl
Tertiary amine

Properties

Molecular formula
C18H24ClNO2S
Molar mass
353.91 g/mol
Exact mass
353.1216 Da
logP
5.17Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

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
43040-76-2
SMILES
CCCCN(CCCC)C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl
InChIKey
PIZHBGYIKYGXBV-UHFFFAOYSA-N
InChI
InChI=1S/C18H24ClNO2S/c1-3-5-13-20(14-6-4-2)17-11-7-10-16-15(17)9-8-12-18(16)23(19,21)22/h7-12H,3-6,13-14H2,1-2H3

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Names and synonyms

1 names
  • Bansyl chloride

Work with Bansyl compound

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

Dansyl chloride605-65-260 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-454 % similar 1-Naphthalenesulfonyl chloride85-46-145 % similar N,N-Dibutylbenzenamine613-29-640 % similar 4-N-Butylbenzenesulfonyl chloride54997-92-139 % similar 1,2-Benzenedisulfonyl dichloride6461-76-338 % similar 4-t-Amylbenzenesulphonyl chloride73948-18-238 % similar N,N-Dibutyl-3-aminophenol43141-69-138 % similar

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

Elsewhere

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