Cas no 92396-76-4 (Benzoic acid,3,4-diamino-, propyl ester)

Benzoic acid,3,4-diamino-, propyl ester structure
92396-76-4 structure
Product Name:Benzoic acid,3,4-diamino-, propyl ester
CAS No:92396-76-4
MF:C10H14N2O2
MW:194.230362415314
CID:800673
PubChem ID:14471154
Update Time:2025-04-19

Benzoic acid,3,4-diamino-, propyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3,4-diamino-, propyl ester
    • Benzoic acid, 3,4-diamino-, propyl ester (9CI)
    • 92396-76-4
    • Propyl 3,4-diaminobenzoate
    • Inchi: 1S/C10H14N2O2/c1-2-5-14-10(13)7-3-4-8(11)9(12)6-7/h3-4,6H,2,5,11-12H2,1H3
    • InChI Key: LCMZOYWTWCAONA-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=C(C=1)N)N)=O)CCC

Computed Properties

  • Exact Mass: 194.105527694g/mol
  • Monoisotopic Mass: 194.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 197
  • 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: 1.3
  • Topological Polar Surface Area: 78.3?2
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