Cas no 1236038-48-4 (2-(1-Naphthalenylcarbonyl)propanedinitrile)

2-(1-Naphthalenylcarbonyl)propanedinitrile structure
1236038-48-4 structure
Product Name:2-(1-Naphthalenylcarbonyl)propanedinitrile
CAS No:1236038-48-4
MF:C14H8N2O
MW:220.22612285614
CID:1061961
PubChem ID:71750932
Update Time:2025-04-20

2-(1-Naphthalenylcarbonyl)propanedinitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(1-Naphthalenylcarbonyl)propanedinitrile
    • 2-(1-naphthoyl)malononitrile
    • 2-(naphthalene-1-carbonyl)propanedinitrile
    • DTXSID80858162
    • 1236038-48-4
    • (Naphthalene-1-carbonyl)propanedinitrile
    • DB-363871
    • 2-(1-Naphthalenylcarbonyl)-propanedinitrile
    • MDL: MFCD22206781
    • Inchi: 1S/C14H8N2O/c15-8-11(9-16)14(17)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H
    • InChI Key: LJEFDGSTKLVSJB-UHFFFAOYSA-N
    • SMILES: O=C(C(C#N)C#N)C1C=CC=C2C=CC=CC=12

Computed Properties

  • Exact Mass: 220.06400
  • Monoisotopic Mass: 220.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 381
  • 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: 2.7
  • Topological Polar Surface Area: 64.6?2

Experimental Properties

  • PSA: 64.65000
  • LogP: 2.68586

2-(1-Naphthalenylcarbonyl)propanedinitrile Pricemore >>

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2-(1-Naphthalenylcarbonyl)propanedinitrile Production Method

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