Cas no 94887-58-8 (2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N,N-diethylethanaminium chloride)

2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N,N-diethylethanaminium chloride structure
94887-58-8 structure
Product Name:2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N,N-diethylethanaminium chloride
CAS No:94887-58-8
MF:C18H21ClN2O2
MW:332.824543714523
CID:1985084
PubChem ID:56824
Update Time:2025-04-21

2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N,N-diethylethanaminium chloride Chemical and Physical Properties

Names and Identifiers

    • 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N,N-diethylethanaminium chloride
    • 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-(diethylamino)ethyl]-, monohydrochloride
    • 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-diethylazanium,chloride
    • AKOS024360529
    • N-(2-(Diethylamino)ethyl)naphthalimide hydrochloride
    • 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(diethylamino)ethyl)-, monohydrochloride
    • NAPHTHALIMIDE, N-(2-(DIETHYLAMINO)ETHYL)-, HYDROCHLORIDE
    • NSC 25242
    • 94887-58-8
    • 2-(2-(Diethylamino)ethyl)-1H-benz(de)isoquinoline-1,3(2H)-dione hydrochloride
    • Inchi: 1S/C18H20N2O2.ClH/c1-3-19(4-2)11-12-20-17(21)14-9-5-7-13-8-6-10-15(16(13)14)18(20)22;/h5-10H,3-4,11-12H2,1-2H3;1H
    • InChI Key: YYYSCUQJGZKMCO-UHFFFAOYSA-N
    • SMILES: [Cl-].O=C1C2=CC=CC3=CC=CC(C(N1CC[NH+](CC)CC)=O)=C23

Computed Properties

  • Exact Mass: 332.129
  • Monoisotopic Mass: 332.129
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 403
  • 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: 41.8A^2

Experimental Properties

  • Boiling Point: 448°C at 760 mmHg
  • Flash Point: 194.1°C
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