Dansyl-L-phenylalanine

C21H22N2O4SCAS 1104-36-5398.48 g/mol

Open in Covalent MOL file
NSOONHOOH
Carboxylic acidSulfonamideTertiary amine

Properties

Molecular formula
C21H22N2O4S
Molar mass
398.48 g/mol
Exact mass
398.1300 Da
logP
2.88Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1104-36-5
SMILES
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O)cccc12
InChIKey
GPIOGTIFRDHWSB-SFHVURJKSA-N
InChI
InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)/t18-/m0/s1

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Names and synonyms

11 names
  • L-Phenylalanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
  • Alanine, N-[[5-(dimethylamino)-1-naphthyl]sulfonyl]-3-phenyl-
  • N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-L-phenylalanine
  • 1-Dimethylaminonaphthalene-5-sulfonyl-L-phenylalanine
  • Nα-Dansyl-L-phenylalanine
  • Dansylphenylalanine
  • N-Dansyl-L-phenylalanine
  • N-Dansylphenylalanine
  • DNS-phenylalanine
  • L-Dansylphenylalanine
  • Dansyl-(S)-phenylalanine

Work with Dansyl-L-phenylalanine

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-dl-aspartic acid di(cyclohexylamm102783-64-262 % similar L-Alanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-, compd. with cyclohexanamine (1:1)53332-27-758 % similar N-((4-Methylphenyl)sulfonyl)-L-phenylalanine13505-32-355 % similar Fmoc-lys(dansyl)-OH118584-90-051 % similar Dansylhydrazine33008-06-949 % similar Dansyl acid4272-77-944 % similar 5-(Dimethylamino)-1-naphthalenesulfonyl fluoride34523-28-941 % similar Dansyl chloride605-65-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook