Cas no 4629-50-9 (Benzoic acid,3-(dimethylamino)-, anhydride with 3-(dimethylamino)benzoic acid)

Benzoic acid,3-(dimethylamino)-, anhydride with 3-(dimethylamino)benzoic acid structure
4629-50-9 structure
Product Name:Benzoic acid,3-(dimethylamino)-, anhydride with 3-(dimethylamino)benzoic acid
CAS No:4629-50-9
MF:C18H20N2O3
MW:312.363004684448
CID:325660
PubChem ID:46779096
Update Time:2025-07-12

Benzoic acid,3-(dimethylamino)-, anhydride with 3-(dimethylamino)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-(dimethylamino)-, anhydride with 3-(dimethylamino)benzoic acid
    • 3-Dimethylaminobenzoic anhydride
    • [3-(dimethylamino)benzoyl] 3-(dimethylamino)benzoate
    • 3-(dimethylamino)benzoic anhydride
    • 3-Dimethylamino-benzoesaeure-anhydrid
    • Benzoic acid,m-(dimethylamino)-,anhydride (7CI,8CI)
    • Benzoicacid,3-(dimethylamino)-,anhydride (9CI)
    • (3-Dimethylaminobenzoyl) 3-dimethylaminobenzoate
    • 4629-50-9
    • AKOS025396872
    • SCHEMBL9854041
    • DTXSID80675477
    • MDL： MFCD09757555
    • Inchi： 1S/C18H20N2O3/c1-19(2)15-9-5-7-13(11-15)17(21)23-18(22)14-8-6-10-16(12-14)20(3)4/h5-12H,1-4H3
    • InChI Key： ROXBMXDDDMXDFQ-UHFFFAOYSA-N
    • SMILES： O(C(C1=CC=CC(=C1)N(C)C)=O)C(C1=CC=CC(=C1)N(C)C)=O

Computed Properties

  • Exact Mass: 312.14700
  • Monoisotopic Mass: 312.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 385
  • 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: 49.8A^2
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.189
  • Melting Point: 110-114℃
  • Boiling Point: 483.167°C at 760 mmHg
  • Flash Point: 246.011°C
  • Refractive Index: 1.614
  • PSA: 49.85000
  • LogP: 2.81580

Benzoic acid,3-(dimethylamino)-, anhydride with 3-(dimethylamino)benzoic acid Pricemore >>

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