Cas no 1340510-45-3 (Tert-butyl 3-ethylpyrrolidine-3-carboxylate)

Tert-butyl 3-ethylpyrrolidine-3-carboxylate structure
1340510-45-3 structure
Product Name:Tert-butyl 3-ethylpyrrolidine-3-carboxylate
CAS No:1340510-45-3
MF:C11H21NO2
MW:199.28994345665
CID:5756266
PubChem ID:63144803
Update Time:2023-12-26

Tert-butyl 3-ethylpyrrolidine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 3-ethylpyrrolidine-3-carboxylate
    • CS-0287990
    • EN300-904791
    • 1340510-45-3
    • AKOS012446094
    • 3-Pyrrolidinecarboxylic acid, 3-ethyl-, 1,1-dimethylethyl ester
    • Tert-butyl 3-ethylpyrrolidine-3-carboxylate
    • Inchi: 1S/C11H21NO2/c1-5-11(6-7-12-8-11)9(13)14-10(2,3)4/h12H,5-8H2,1-4H3
    • InChI Key: XCSMPKYBWPOFGN-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(C1(CC)CNCC1)=O

Computed Properties

  • Exact Mass: 199.157228913g/mol
  • Monoisotopic Mass: 199.157228913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 220
  • 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: 1.5
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Density: 0.958±0.06 g/cm3(Predicted)
  • Boiling Point: 246.8±33.0 °C(Predicted)
  • pka: 9.45±0.10(Predicted)

Tert-butyl 3-ethylpyrrolidine-3-carboxylate Pricemore >>

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