Cas no 284673-00-3 (Benzoic acid, 4-(cycloheptylamino)-3-nitro-)

Benzoic acid, 4-(cycloheptylamino)-3-nitro- structure
284673-00-3 structure
Product Name:Benzoic acid, 4-(cycloheptylamino)-3-nitro-
CAS No:284673-00-3
MF:C14H18N2O4
MW:278.303723812103
CID:1435043
Update Time:2024-08-15

Benzoic acid, 4-(cycloheptylamino)-3-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-(cycloheptylamino)-3-nitro-
    • Inchi： 1S/C14H18N2O4/c17-14(18)10-7-8-12(13(9-10)16(19)20)15-11-5-3-1-2-4-6-11/h7-9,11,15H,1-6H2,(H,17,18)
    • InChI Key： NLSYIDBGCHALOC-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=CC=C(NC2CCCCCC2)C([N+]([O-])=O)=C1

Computed Properties

  • Exact Mass: 278.12674

Experimental Properties

  • Density: 1.303±0.06 g/cm3(Predicted)
  • Boiling Point: 471.6±40.0 °C(Predicted)
  • PSA: 92.47
  • pka: 4.06±0.10(Predicted)

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