Cas no 27325-83-3 ( )

  structure
  structure
Product Name: 
CAS No:27325-83-3
MF:C15H15N3
MW:237.299702882767
CID:914779
PubChem ID:229936
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 3-(4-anilinoanilino)propanenitrile
    • 3-{[4-(phenylamino)phenyl]amino}propanenitrile
    • AC1L5IF4
    • AC1Q4SDA
    • AR-1F1339
    • CTK4F9490
    • NSC24028
    • NSC-24028
    • DTXSID00282066
    • 27325-83-3
    • 3-[(4-anilinophenyl)amino]propanenitrile
    • SCHEMBL11650662
    • DS-013999
    •  
    • Inchi： 1S/C15H15N3/c16-11-4-12-17-13-7-9-15(10-8-13)18-14-5-2-1-3-6-14/h1-3,5-10,17-18H,4,12H2
    • InChI Key： MTVKQSYQAYQKNZ-UHFFFAOYSA-N
    • SMILES： N(CCC#N)C1C=CC(=CC=1)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 237.12675
  • Monoisotopic Mass: 237.126597491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 267
  • 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: 3.7
  • Topological Polar Surface Area: 47.8?2

Experimental Properties

  • PSA: 47.85

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