Cas no 157996-62-8 (9-Acridinamine,2,7-dinitro-)

9-Acridinamine,2,7-dinitro- structure
9-Acridinamine,2,7-dinitro- structure
Product Name:9-Acridinamine,2,7-dinitro-
CAS No:157996-62-8
MF:C13H8N4O4
MW:284.227022171021
CID:143260
PubChem ID:154696
Update Time:2025-04-19

9-Acridinamine,2,7-dinitro- Chemical and Physical Properties

Names and Identifiers

    • 9-Acridinamine,2,7-dinitro-
    • 2,7-dinitroacridin-9-amine
    • 9-Amino-2,7-dinitroacridine
    • CCRIS 7492
    • DTXSID20166339
    • 157996-62-8
    • Inchi: 1S/C13H8N4O4/c14-13-9-5-7(16(18)19)1-3-11(9)15-12-4-2-8(17(20)21)6-10(12)13/h1-6H,(H2,14,15)
    • InChI Key: QSIXIMZVUAJUNG-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC2C(C=1)=C(C1C=C(C=CC=1N=2)[N+](=O)[O-])N)=O

Computed Properties

  • Exact Mass: 284.05464
  • Monoisotopic Mass: 284.055
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 397
  • 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: 2.5
  • Topological Polar Surface Area: 131?2

Experimental Properties

  • Density: 1.607
  • Boiling Point: 583.9°C at 760 mmHg
  • Flash Point: 306.9°C
  • Refractive Index: 1.825
  • PSA: 125.19
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