Cas no 13442-16-5 (4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide)

4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide structure
13442-16-5 structure
Product Name:4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide
CAS No:13442-16-5
MF:C9H7N3O4
MW:221.169581651688
CID:168853
Update Time:2024-01-25

4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • 4-Quinolinamine,N-hydroxy-7-nitro-, 1-oxide
    • (4E)-4-(Hydroxyimino)-7-nitro-1(4H)-quinolinol
    • 7-Nitro-4-hydroxylaminoquinoline 1-oxide
    • 2(1H)-Quinolinone, 4-hydroxy-1-methyl-7-nitro-
    • 7-nitro-4-hydroxy-1-methyl-2(1H)-quinolinone
    • 7-nitro-4-hydroxy-1-methylquinolin-2(1H)-one
    • 7-Nitro-4-hydroxyamino-chinolin-1-oxid
    • ACMC-20mpej
    • CTK0C3549
    • N-(7-nitro-1-oxy-quinolin-4-yl)-hydroxylamine
    • SureCN7997074
    • 4-(Hydroxyamino)-7-nitroquinoline 1-oxide
    • 4-Quinolinamine, N-hydroxy-7-nitro-, 1-oxide
    • Inchi: 1S/C9H7N3O4/c13-10-8-3-4-11(14)9-5-6(12(15)16)1-2-7(8)9/h1-5,10,13H
    • InChI Key: ZXPZKFSTBSCCMT-UHFFFAOYSA-N
    • SMILES: [N+]1([O-])=C2C(C=CC([N+]([O-])=O)=C2)=C(NO)C=C1

Computed Properties

  • Exact Mass: 221.04371
  • Monoisotopic Mass: 221.043656
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 349
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 102

Experimental Properties

  • Density: 1.4532 (rough estimate)
  • Melting Point: 207 °C
  • Boiling Point: 362.22°C (rough estimate)
  • Flash Point: 219.1°C
  • Refractive Index: 1.6500 (estimate)
  • PSA: 99.2
  • pka: 8.18±0.30(Predicted)
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