Cas no 14519-93-8 (Benzenemethanaminium,N,N,N-trimethyl-2-[(phenylamino)carbonyl]-, iodide (1:1))

Benzenemethanaminium,N,N,N-trimethyl-2-[(phenylamino)carbonyl]-, iodide (1:1) structure
14519-93-8 structure
Product Name:Benzenemethanaminium,N,N,N-trimethyl-2-[(phenylamino)carbonyl]-, iodide (1:1)
CAS No:14519-93-8
MF:C17H21IN2O
MW:396.265916585922
CID:220746
PubChem ID:24189442
Update Time:2025-04-19

Benzenemethanaminium,N,N,N-trimethyl-2-[(phenylamino)carbonyl]-, iodide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanaminium,N,N,N-trimethyl-2-[(phenylamino)carbonyl]-, iodide (1:1)
    • trimethyl-[[2-(phenylcarbamoyl)phenyl]methyl]azanium,iodide
    • NSC89680
    • NSC-89680
    • N,N,N-Trimethyl[2-(phenylcarbamoyl)phenyl]methanaminium iodide
    • DTXSID70637589
    • 14519-93-8
    • Inchi： 1S/C17H20N2O.HI/c1-19(2,3)13-14-9-7-8-12-16(14)17(20)18-15-10-5-4-6-11-15;/h4-12H,13H2,1-3H3;1H
    • InChI Key： GCDWTPLSSRSQPR-UHFFFAOYSA-N
    • SMILES： [I-].O=C(C1C=CC=CC=1C[N+](C)(C)C)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 269.16553
  • Monoisotopic Mass: 396.06986g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 315
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.1
  • LogP: 0.22210

Benzenemethanaminium,N,N,N-trimethyl-2-[(phenylamino)carbonyl]-, iodide (1:1) Related Literature

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