Cas no 50466-20-1 (Benzoic acid,4-(aminoiminomethyl)-, phenyl ester)

Benzoic acid,4-(aminoiminomethyl)-, phenyl ester structure
50466-20-1 structure
Product Name:Benzoic acid,4-(aminoiminomethyl)-, phenyl ester
CAS No:50466-20-1
MF:C14H12N2O2
MW:240.257283210754
CID:370554
PubChem ID:128036
Update Time:2025-04-19

Benzoic acid,4-(aminoiminomethyl)-, phenyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-(aminoiminomethyl)-, phenyl ester
    • 4-Amidinophenylbenzoate
    • 4-(aminoiminomethyl)-benzoic acid phenyl ester
    • DTXSID00964698
    • 50466-20-1
    • phenyl 4-carbamimidoylbenzoate
    • Benzoic acid, 4-(aminoiminomethyl)-, phenyl ester
    • SCHEMBL5330655
    • Inchi: 1S/C14H12N2O2/c15-13(16)10-6-8-11(9-7-10)14(17)18-12-4-2-1-3-5-12/h1-9H,(H3,15,16)
    • InChI Key: IGTONLPXDLZDKC-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C(C1C=CC(C(=N)N)=CC=1)=O

Computed Properties

  • Exact Mass: 240.08996
  • Monoisotopic Mass: 240.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 303
  • 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: 2.6
  • Topological Polar Surface Area: 76.2?2

Experimental Properties

  • Density: 1.21
  • Boiling Point: 406.8°C at 760 mmHg
  • Flash Point: 199.8°C
  • Refractive Index: 1.602
  • PSA: 76.17
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