Cas no 1253654-23-7 (5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one)

5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one structure
1253654-23-7 structure
Product Name:5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one
CAS No:1253654-23-7
MF:C13H18N2O
MW:218.294823169708
CID:1082869
PubChem ID:53415041
Update Time:2025-04-20

5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one Chemical and Physical Properties

Names and Identifiers

    • 5-(2-Aminoethyl)-1-benzylpyrrolidin-2-one
    • 5-(2-aminoethyl)-1-(phenylmethyl)-2-Pyrrolidinone
    • MFCD16249833
    • 5-(2-Amino-ethyl)-1-benzyl-pyrrolidin-2-one
    • DA-19390
    • DB-032157
    • 1253654-23-7
    • Inchi: 1S/C13H18N2O/c14-9-8-12-6-7-13(16)15(12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
    • InChI Key: GXOXJYBZFHUQJL-UHFFFAOYSA-N
    • SMILES: O=C1CCC(CCN)N1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 218.141913202g/mol
  • Monoisotopic Mass: 218.141913202g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 46.3?2
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