Cas no 126926-35-0 (3-(dipropylcarbamoyl)benzoic acid)

3-(dipropylcarbamoyl)benzoic acid structure
126926-35-0 structure
Product Name:3-(dipropylcarbamoyl)benzoic acid
CAS No:126926-35-0
MF:C14H19NO3
MW:249.305564165115
CID:188118
PubChem ID:182769
Update Time:2025-04-19

3-(dipropylcarbamoyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-[(dipropylamino)carbonyl]-
    • 3-(Dipropylcarbamoyl)benzoic acid
    • 3-[(dipropylamino)carbonyl]benzoic acid
    • AC1L4BLE
    • AC1Q2XOA
    • Benzoic acid, 3-((dipropylamino)carbonyl)-
    • N,N-dipropyl-isophthalamic acid
    • N,N-Dipropylisophthalamic acid
    • Preparation 2
    • SureCN2206424
    • FT-0704039
    • Benzoic acid, 3-[(dipropylamino)carbonyl]-
    • DTXSID10155338
    • BEOWTCBXKHFAAK-UHFFFAOYSA-N
    • SCHEMBL2206424
    • A1-06213
    • AKOS009497312
    • Z425331792
    • 126926-35-0
    • Benzoicacid,3-[(dipropylamino)carbonyl]-
    • EN300-68976
    • 3-(dipropylcarbamoyl)benzoic acid
    • Inchi: 1S/C14H19NO3/c1-3-8-15(9-4-2)13(16)11-6-5-7-12(10-11)14(17)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,18)
    • InChI Key: BEOWTCBXKHFAAK-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C(=O)O)C=1)N(CCC)CCC

Computed Properties

  • Exact Mass: 249.13657
  • Monoisotopic Mass: 249.136493
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 285
  • 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
  • Topological Polar Surface Area: 57.6
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.116
  • Boiling Point: 438.2°C at 760 mmHg
  • Flash Point: 218.8°C
  • Refractive Index: 1.54
  • PSA: 57.61

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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