Cas no 94831-73-9 (1H-Indolo[3,2,1-de][1,5]naphthyridine, 3,4-diethyl-2,3,3a,4-tetrahydro-, hydrochloride (1:1))

1H-Indolo[3,2,1-de][1,5]naphthyridine, 3,4-diethyl-2,3,3a,4-tetrahydro-, hydrochloride (1:1) structure
94831-73-9 structure
Product Name:1H-Indolo[3,2,1-de][1,5]naphthyridine, 3,4-diethyl-2,3,3a,4-tetrahydro-, hydrochloride (1:1)
CAS No:94831-73-9
MF:C18H23ClN2
MW:302.841623544693
CID:2694988
PubChem ID:24839611
Update Time:2024-03-01

1H-Indolo[3,2,1-de][1,5]naphthyridine, 3,4-diethyl-2,3,3a,4-tetrahydro-, hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1H-Indolo[3,2,1-de][1,5]naphthyridine, 3,4-diethyl-2,3,3a,4-tetrahydro-, hydrochloride (1:1)
    • Inchi: 1S/C18H22N2.ClH/c1-3-13-9-12-20-16-8-6-5-7-14(16)15-10-11-19(4-2)17(13)18(15)20;/h5-9,12-13,17H,3-4,10-11H2,1-2H3;1H
    • InChI Key: CEAHFSPCSCWQHL-UHFFFAOYSA-N
    • SMILES: C(C1C=CN2C3C=CC=CC=3C3CCN(CC)C1C=32)C.Cl

Computed Properties

  • Exact Mass: 302.1549764g/mol
  • Monoisotopic Mass: 302.1549764g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 391
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 8.2?2
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