Cas no 93999-89-4 (Carbamic acid, (4-nitrophenyl)-, undecyl ester)

Carbamic acid, (4-nitrophenyl)-, undecyl ester structure
93999-89-4 structure
Product Name:Carbamic acid, (4-nitrophenyl)-, undecyl ester
CAS No:93999-89-4
MF:C18H28N2O4
MW:336.425925254822
CID:752439
PubChem ID:523095
Update Time:2025-04-19

Carbamic acid, (4-nitrophenyl)-, undecyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, (4-nitrophenyl)-, undecyl ester
    • undecyl N-(4-nitrophenyl)carbamate
    • p-Nitro carbanilic acid, n-undecyl ester
    • DTXSID50335152
    • 93999-89-4
    • Inchi: 1S/C18H28N2O4/c1-2-3-4-5-6-7-8-9-10-15-24-18(21)19-16-11-13-17(14-12-16)20(22)23/h11-14H,2-10,15H2,1H3,(H,19,21)
    • InChI Key: NQKPOXVRXBGLGC-UHFFFAOYSA-N
    • SMILES: O(C(NC1C=CC(=CC=1)[N+](=O)[O-])=O)CCCCCCCCCCC

Computed Properties

  • Exact Mass: 336.20490738g/mol
  • Monoisotopic Mass: 336.20490738g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 12
  • Complexity: 349
  • 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: 6.9
  • Topological Polar Surface Area: 84.2?2
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