Cas no 23770-07-2 (1-Benzyl-5-methylpyrrolidin-3-one)

1-Benzyl-5-methylpyrrolidin-3-one structure
23770-07-2 structure
Product Name:1-Benzyl-5-methylpyrrolidin-3-one
CAS No:23770-07-2
MF:C12H15NO
MW:189.253603219986
MDL:MFCD22369934
CID:2092413
PubChem ID:18379325
Update Time:2025-04-21

1-Benzyl-5-methylpyrrolidin-3-one Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyl-5-methylpyrrolidin-3-one
    • (+,)-N-benzyl-5-methylpyrrolidin-3-one
    • 23770-07-2
    • 1-benzyl-5-methyl-3-pyrrolidinone
    • AKOS023591592
    • YKPHLMHWFYQKLQ-UHFFFAOYSA-N
    • YAA77007
    • (5S)-1-benzyl-5-methylpyrrolidin-3-one
    • F50540
    • EN300-105668
    • DS-9343
    • Z1386896522
    • SCHEMBL891774
    • CS-0308035
    • MFCD22369934
    • MDL: MFCD22369934
    • Inchi: 1S/C12H15NO/c1-10-7-12(14)9-13(10)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
    • InChI Key: YKPHLMHWFYQKLQ-UHFFFAOYSA-N
    • SMILES: O=C1CN(CC2C=CC=CC=2)C(C)C1

Computed Properties

  • Exact Mass: 189.115364102g/mol
  • Monoisotopic Mass: 189.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 1.7
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Boiling Point: 290.6±28.0°C at 760 mmHg

1-Benzyl-5-methylpyrrolidin-3-one Security Information

  • Signal Word:Warning
  • Hazard Statement: H302-H317
  • Warning Statement: P280
  • Storage Condition:Sealed in dry,Store in freezer, under -20°C(BD286896)

1-Benzyl-5-methylpyrrolidin-3-one Pricemore >>

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