Cas no 81254-04-8 (1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide)

1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide structure
81254-04-8 structure
Product Name:1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide
CAS No:81254-04-8
MF:C16H17BrN2O2
MW:349.222383260727
CID:986565
PubChem ID:149902
Update Time:2025-04-20

1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide Chemical and Physical Properties

Names and Identifiers

    • 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide
    • 2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione,hydrobromide
    • 2-(2-(Dimethylamino)ethyl)-1H-benz(de)isoquinoline-1,3(2H)-dione monohydrobromide
    • 81254-04-8
    • DTXSID80230989
    • 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, monohydrobromide
    • Inchi: 1S/C16H16N2O2.BrH/c1-17(2)9-10-18-15(19)12-7-3-5-11-6-4-8-13(14(11)12)16(18)20;/h3-8H,9-10H2,1-2H3;1H
    • InChI Key: VBBFHAUZNRDCBA-UHFFFAOYSA-N
    • SMILES: Br.O=C1C2=CC=CC3=CC=CC(C(N1CCN(C)C)=O)=C23

Computed Properties

  • Exact Mass: 348.04700
  • Monoisotopic Mass: 348.04734g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 377
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.6?2

Experimental Properties

  • PSA: 42.31000
  • LogP: 2.47240

1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide Related Literature

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