Cas no 102831-67-4 (Benzenedodecanoic acid, 3-amino-, ethyl ester)

Benzenedodecanoic acid, 3-amino-, ethyl ester structure
102831-67-4 structure
Product Name:Benzenedodecanoic acid, 3-amino-, ethyl ester
CAS No:102831-67-4
MF:C20H33NO2
MW:319.481526136398
CID:1133816
Update Time:2024-07-27

Benzenedodecanoic acid, 3-amino-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenedodecanoic acid, 3-amino-, ethyl ester
    • Inchi: 1S/C20H33NO2/c1-2-23-20(22)16-11-9-7-5-3-4-6-8-10-13-18-14-12-15-19(21)17-18/h12,14-15,17H,2-11,13,16,21H2,1H3
    • InChI Key: SUIRMZBYYPJKGL-UHFFFAOYSA-N
    • SMILES: C1(CCCCCCCCCCCC(OCC)=O)=CC=CC(N)=C1

Computed Properties

  • Exact Mass: 319.25129

Experimental Properties

  • Density: 0.979±0.06 g/cm3(Predicted)
  • Boiling Point: 437.5±18.0 °C(Predicted)
  • PSA: 52.32
  • pka: 4.68±0.10(Predicted)
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