Cas no 960294-12-6 (tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate)

tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate structure
960294-12-6 structure
Product Name:tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
CAS No:960294-12-6
MF:C12H19ClN2O2
MW:258.744462251663
CID:822544
PubChem ID:24740359
Update Time:2025-04-19

tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
    • 1-Pyrrolidinecarboxylic acid, 2-(2-chloroethyl)-2-cyano-, 1,1-dimethylethyl ester
    • DTXSID90647125
    • tert-Butyl2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
    • 960294-12-6
    • FT-0688619
    • A846779
    • AM20120386
    • DA-40077
    • Inchi： 1S/C12H19ClN2O2/c1-11(2,3)17-10(16)15-8-4-5-12(15,9-14)6-7-13/h4-8H2,1-3H3
    • InChI Key： HYQLUBITXSSPQS-UHFFFAOYSA-N
    • SMILES： ClCCC1(C#N)CCCN1C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 258.114
  • Monoisotopic Mass: 258.114
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 342
  • 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
  • Topological Polar Surface Area: 53.3A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.15

tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate Pricemore >>

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