Cas no 2227814-68-6 ((2S)-1-(3-trifluoromethanesulfonylphenyl)propan-2-amine)

(2S)-1-(3-trifluoromethanesulfonylphenyl)propan-2-amine structure
2227814-68-6 structure
Product Name:(2S)-1-(3-trifluoromethanesulfonylphenyl)propan-2-amine
CAS No:2227814-68-6
MF:C10H12F3NO2S
MW:267.267992019653
CID:5875930
PubChem ID:165648236
Update Time:2023-12-28

(2S)-1-(3-trifluoromethanesulfonylphenyl)propan-2-amine Chemical and Physical Properties

Names and Identifiers

    • (2S)-1-(3-trifluoromethanesulfonylphenyl)propan-2-amine
    • EN300-1990410
    • 2227814-68-6
    • Inchi: 1S/C10H12F3NO2S/c1-7(14)5-8-3-2-4-9(6-8)17(15,16)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1
    • InChI Key: ABBYMIYNVVCPKU-ZETCQYMHSA-N
    • SMILES: S(C(F)(F)F)(C1=CC=CC(=C1)C[C@H](C)N)(=O)=O

Computed Properties

  • Exact Mass: 267.05408429g/mol
  • Monoisotopic Mass: 267.05408429g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 348
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 68.5?2

(2S)-1-(3-trifluoromethanesulfonylphenyl)propan-2-amine Pricemore >>

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