chempirical

Dansyl acid

C12H13NO3SCAS 4272-77-9251.30 g/mol

Open in Covalent MOL file
NSOOOH
Sulfonic acidTertiary amine

Properties

Molecular formula
C12H13NO3S
Molar mass
251.30 g/mol
Exact mass
251.0616 Da
logP
2.15Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
4272-77-9
SMILES
CN(C)c1cccc2c(S(=O)(=O)O)cccc12
InChIKey
BBEQQKBWUHCIOU-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)

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

Names and synonyms

6 names
  • 1-Naphthalenesulfonic acid, 5-(dimethylamino)-
  • 5-(Dimethylamino)-1-naphthalenesulfonic acid
  • 1-(Dimethylamino)-5-naphthalenesulfonic acid
  • N,N-Dimethyl-1-naphthylamine-5-sulfonic acid
  • 5-Dimethylamino-1-sulfonyl naphthalene
  • DNS

Work with Dansyl acid

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

Armstrong'S acid81-04-967 % similar 5-(Dimethylamino)-1-naphthalenesulfonyl fluoride34523-28-962 % similar Dansyl chloride605-65-262 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-261 % similar Dansylhydrazine33008-06-957 % similar L Acid117-59-956 % similar Naphthalene-1-sulfonic acid85-47-254 % similar Laurent acid84-89-954 % similar

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

Same formula

Pyridinium P-toluenesulfonate24057-28-1

Elsewhere

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