Cas no 919366-33-9 (1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester)

1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester structure
919366-33-9 structure
Product Name:1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester
CAS No:919366-33-9
MF:C17H21NO3
MW:287.353544950485
CID:763214
PubChem ID:74764148
Update Time:2025-04-19

1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester Chemical and Physical Properties

Names and Identifiers

    • 1(2H)-Pyridinecarboxylic acid, 2-butyl-3,4-dihydro-4-oxo-, phenylmethylester
    • benzyl 2-butyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
    • Benzyl 2-n-butyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
    • Phenylmethyl 2-butyl-3,4-dihydro-4-oxo-1(2H)-pyridinecarboxylate
    • DTXSID301169965
    • 919366-33-9
    • MDL: MFCD11975372
    • Inchi: 1S/C17H21NO3/c1-2-3-9-15-12-16(19)10-11-18(15)17(20)21-13-14-7-5-4-6-8-14/h4-8,10-11,15H,2-3,9,12-13H2,1H3
    • InChI Key: HKQZGCXWECGGSU-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(N1C=CC(CC1CCCC)=O)=O

Computed Properties

  • Exact Mass: 287.15214353g/mol
  • Monoisotopic Mass: 287.15214353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 386
  • 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: 3.1
  • Topological Polar Surface Area: 46.6?2
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