Cas no 1701589-48-1 (tert-Butyl 3-bromo-4-propoxypyrrolidine-1-carboxylate)

tert-Butyl 3-bromo-4-propoxypyrrolidine-1-carboxylate structure
1701589-48-1 structure
Product Name:tert-Butyl 3-bromo-4-propoxypyrrolidine-1-carboxylate
CAS No:1701589-48-1
MF:C12H22BrNO3
MW:308.211983203888
CID:5706900
PubChem ID:90337755
Update Time:2023-10-15

tert-Butyl 3-bromo-4-propoxypyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL15946892
    • EN300-1135395
    • tert-Butyl 3-bromo-4-propoxypyrrolidine-1-carboxylate
    • tert-Butyl3-bromo-4-propoxypyrrolidine-1-carboxylate
    • 1701589-48-1
    • 1-Pyrrolidinecarboxylic acid, 3-bromo-4-propoxy-, 1,1-dimethylethyl ester
    • Inchi: 1S/C12H22BrNO3/c1-5-6-16-10-8-14(7-9(10)13)11(15)17-12(2,3)4/h9-10H,5-8H2,1-4H3
    • InChI Key: BWCNEJVKCBDMJS-UHFFFAOYSA-N
    • SMILES: BrC1CN(C(=O)OC(C)(C)C)CC1OCCC

Computed Properties

  • Exact Mass: 307.07831g/mol
  • Monoisotopic Mass: 307.07831g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 265
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 38.8?2

Experimental Properties

  • Density: 1.28±0.1 g/cm3(Predicted)
  • Boiling Point: 338.5±42.0 °C(Predicted)
  • pka: -4.52±0.60(Predicted)

tert-Butyl 3-bromo-4-propoxypyrrolidine-1-carboxylate Pricemore >>

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