Cas no 3123-27-1 (Benz[c]acridine-7-carbonitrile)

Benz[c]acridine-7-carbonitrile structure
3123-27-1 structure
Product Name:Benz[c]acridine-7-carbonitrile
CAS No:3123-27-1
MF:C18H10N2
MW:254.285403728485
CID:315230
PubChem ID:76574
Update Time:2025-04-19

Benz[c]acridine-7-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • Benz[c]acridine-7-carbonitrile
    • benzo[c]acridine-7-carbonitrile
    • BRN 0406435
    • 7-Cyanobenzo(c)acridine
    • Benz(c)acridine-7-carbonitrile
    • 7-Cyanobenz(c)acridine
    • 3123-27-1
    • DTXSID40185148
    • 5-22-03-00538 (Beilstein Handbook Reference)
    • Inchi: 1S/C18H10N2/c19-11-16-14-7-3-4-8-17(14)20-18-13-6-2-1-5-12(13)9-10-15(16)18/h1-10H
    • InChI Key: QEKSMGPWTCRUMA-UHFFFAOYSA-N
    • SMILES: N1C2C=CC=CC=2C(C#N)=C2C=CC3C=CC=CC=3C=12

Computed Properties

  • Exact Mass: 254.0845
  • Monoisotopic Mass: 254.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 409
  • 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
  • Topological Polar Surface Area: 36.7A^2
  • XLogP3: 4.5

Experimental Properties

  • Density: 0.9835 (rough estimate)
  • Boiling Point: 387.5°C (rough estimate)
  • Flash Point: 159.2°C
  • Refractive Index: 1.6300 (estimate)
  • PSA: 36.68
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