Cas no 21903-30-0 (Benzoic acid, 3,5-bis(dimethylamino)-, methyl ester)

Benzoic acid, 3,5-bis(dimethylamino)-, methyl ester structure
21903-30-0 structure
Product Name:Benzoic acid, 3,5-bis(dimethylamino)-, methyl ester
CAS No:21903-30-0
MF:C12H18N2O2
MW:222.283523082733
CID:1404926
Update Time:2024-08-16

Benzoic acid, 3,5-bis(dimethylamino)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3,5-bis(dimethylamino)-, methyl ester
    • Inchi: 1S/C12H18N2O2/c1-13(2)10-6-9(12(15)16-5)7-11(8-10)14(3)4/h6-8H,1-5H3
    • InChI Key: NAOZURCTVHQPDK-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C1=CC(N(C)C)=CC(N(C)C)=C1

Computed Properties

  • Exact Mass: 222.13694

Experimental Properties

  • Density: 1.093±0.06 g/cm3(Predicted)
  • Boiling Point: 347.9±37.0 °C(Predicted)
  • PSA: 32.78
  • pka: 3.84±0.19(Predicted)
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