Cas no 36337-29-8 ([1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-2'-methyl-)

[1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-2'-methyl- structure
36337-29-8 structure
Product Name:[1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-2'-methyl-
CAS No:36337-29-8
MF:C21H15N3
MW:309.363904237747
CID:1473696
PubChem ID:11209062
Update Time:2025-04-20

[1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-2'-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-2'-methyl-
    • 2-amino-5-methyl-4,6-diphenylbenzene-1,3-dicarbonitrile
    • 36337-29-8
    • DTXSID90458879
    • Inchi: 1S/C21H15N3/c1-14-19(15-8-4-2-5-9-15)17(12-22)21(24)18(13-23)20(14)16-10-6-3-7-11-16/h2-11H,24H2,1H3
    • InChI Key: ZDLPWQGMSCEXAZ-UHFFFAOYSA-N
    • SMILES: NC1C(C#N)=C(C2C=CC=CC=2)C(C)=C(C2C=CC=CC=2)C=1C#N

Computed Properties

  • Exact Mass: 309.12675
  • Monoisotopic Mass: 309.126597491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 466
  • 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: 4.8
  • Topological Polar Surface Area: 73.6?2

Experimental Properties

  • PSA: 73.6
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