Cas no 2244700-02-3 (1,3-Piperidinedicarboxylic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) 1-(1,1-dimethylethyl) ester)

1,3-Piperidinedicarboxylic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) 1-(1,1-dimethylethyl) ester structure
2244700-02-3 structure
Product Name:1,3-Piperidinedicarboxylic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) 1-(1,1-dimethylethyl) ester
CAS No:2244700-02-3
MF:C19H22N2O6
MW:374.387785434723
CID:6083061
PubChem ID:160102308
Update Time:2023-12-14

1,3-Piperidinedicarboxylic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) 1-(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,3-Piperidinedicarboxylic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) 1-(1,1-dimethylethyl) ester
    • 1-(tert-butyl) 3-(1,3-dioxoisoindolin-2-yl) piperidine-1,3-dicarboxylate
    • EN300-6520339
    • A1-52086
    • 1-tert-Butyl 3-(1,3-dioxoisoindolin-2-yl) piperidine-1,3-dicarboxylate
    • 1-tert-butyl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) piperidine-1,3-dicarboxylate
    • 2244700-02-3
    • AT20769
    • Inchi: 1S/C19H22N2O6/c1-19(2,3)26-18(25)20-10-6-7-12(11-20)17(24)27-21-15(22)13-8-4-5-9-14(13)16(21)23/h4-5,8-9,12H,6-7,10-11H2,1-3H3
    • InChI Key: WILLJCBWFCKAFV-UHFFFAOYSA-N
    • SMILES: N1(C(OC(C)(C)C)=O)CCCC(C(ON2C(=O)C3=C(C2=O)C=CC=C3)=O)C1

Computed Properties

  • Exact Mass: 374.14778643g/mol
  • Monoisotopic Mass: 374.14778643g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 617
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 93.2?2

Experimental Properties

  • Density: 1.34±0.1 g/cm3(Predicted)
  • Boiling Point: 508.1±60.0 °C(Predicted)
  • pka: -2.69±0.40(Predicted)

1,3-Piperidinedicarboxylic acid, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) 1-(1,1-dimethylethyl) ester Pricemore >>

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