chempirical

Dansyl chloride

C12H12ClNO2SCAS 605-65-2269.74 g/mol

Open in Covalent MOL file
NSOOCl
Tertiary amine

Properties

Molecular formula
C12H12ClNO2S
Molar mass
269.74 g/mol
Exact mass
269.0277 Da
Melting point
70 °C
logP
2.83Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
605-65-2
SMILES
CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIKey
XPDXVDYUQZHFPV-UHFFFAOYSA-N
InChI
InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3

Weigh it out

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Names and synonyms

8 names
  • 1-Naphthalenesulfonyl chloride, 5-(dimethylamino)-
  • 5-(Dimethylamino)-1-naphthalenesulfonyl chloride
  • 1-(Dimethylamino)-5-naphthalenesulfonyl chloride
  • DNS chloride
  • 5-(N,N-Dimethylamino)-1-naphthalenesulfonyl chloride
  • DNS-Cl
  • NSC 83616
  • 8-Dimethylamino-1-naphthalenesulfonyl chloride

Work with Dansyl chloride

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

5-(Dimethylamino)-1-naphthalenesulfonyl fluoride34523-28-962 % similar Dansyl acid4272-77-962 % similar Dansylhydrazine33008-06-957 % similar 1-Naphthalenesulfonyl chloride85-46-154 % similar N,N-Dimethyl-1-naphthylamine86-56-646 % similar 2-Chlorobenzenesulfonyl chloride2905-23-944 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-644 % similar 2-Methylbenzenesulfonyl chloride133-59-543 % similar

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

Elsewhere

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