4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride

C8H11ClFNO2SCAS 30827-99-7239.69 g/mol

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HClH2NSOOF
Primary amine

Properties

Molecular formula
C8H11ClFNO2S
Molar mass
239.69 g/mol
Exact mass
239.0183 Da
logP
1.27Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
30827-99-7
SMILES
Cl.NCCc1ccc(S(=O)(=O)F)cc1
InChIKey
WRDABNWSWOHGMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H

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Names and synonyms

8 names
  • Benzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochloride (1:1)
  • Benzenesulfonyl fluoride, 4-(2-aminoethyl)-, hydrochloride
  • Benzenesulfonyl fluoride, p-(2-aminoethyl)-, hydrochloride
  • Pefabloc
  • Pefabloc SC
  • Pefabloc SC plus
  • AEBSF
  • (2-Aminoethyl)benzenesulfonyl fluoride hydrochloride

Work with 4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride

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

4-(2-Aminoethyl)benzenesulfonamide35303-76-553 % similar Tyramine hydrochloride60-19-547 % similar 2-Phenylethylamine hydrochloride156-28-547 % similar Dopamine hydrochloride62-31-746 % similar 4-Methylbenzenesulfonyl fluoride455-16-344 % similar Benzenesulfonyl fluoride368-43-444 % similar 2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-344 % similar 4-Fluorophenethylamine1583-88-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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