Cas no 170713-71-0 (6-benzyl-3-(propan-2-yl)-1,2-dihydropyrazin-2-one)

6-benzyl-3-(propan-2-yl)-1,2-dihydropyrazin-2-one structure
170713-71-0 structure
Product Name:6-benzyl-3-(propan-2-yl)-1,2-dihydropyrazin-2-one
CAS No:170713-71-0
MF:C14H16N2O
MW:228.289643287659
CID:213144
PubChem ID:10376483
Update Time:2025-04-19

6-benzyl-3-(propan-2-yl)-1,2-dihydropyrazin-2-one Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Pyrazinone,3-(1-methylethyl)-6-(phenylmethyl)-
    • Phevalin
    • Aureusimine B
    • 6-BENZYL-3-ISOPROPYLPYRAZIN-2-ONE
    • 6-benzyl-3-isopropylpyrazin-2(1H)-one
    • 3-(1-Methylethyl)-6-(phenylMethyl)-2(1H)-pyrazinone
    • 6-benzyl-3-(propan-2-yl)-1,2-dihydropyrazin-2-one
    • 6-Benzyl-3-isopropyl-1H-pyrazin-2-one
    • 6-benzyl-3-propan-2-yl-1H-pyrazin-2-one
    • BDBM50104646
    • MFCD00930483
    • J-010645
    • AKOS027325863
    • SCHEMBL21333942
    • 170713-71-0
    • 6-benzyl-3-(propan-2-yl)pyrazin-2(1H)-one
    • CHEBI:167320
    • SCHEMBL16431626
    • HY-116486
    • EN300-107994
    • CS-0065625
    • CHEMBL419498
    • 6-Benzyl-3-isopropyl-2(1H)-pyrazinone
    • 3-(1-Methylethyl)-6-(phenylmethyl)-2(1H)-pyrazinone; Phevalin;
    • DB-338811
    • MDL: MFCD00930483
    • Inchi: 1S/C14H16N2O/c1-10(2)13-14(17)16-12(9-15-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
    • InChI Key: CZUORGWXUVRUMV-UHFFFAOYSA-N
    • SMILES: O=C1C(C(C)C)=NC=C(CC2C=CC=CC=2)N1

Computed Properties

  • Exact Mass: 228.12638
  • Monoisotopic Mass: 228.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 349
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 41.5?2

Experimental Properties

  • PSA: 41.46

6-benzyl-3-(propan-2-yl)-1,2-dihydropyrazin-2-one Pricemore >>

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