Cas no 1420811-53-5 (tert-Butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate)

tert-Butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate structure
1420811-53-5 structure
Product Name:tert-Butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CAS No:1420811-53-5
MF:C11H20ClNO2
MW:233.7350025177
CID:2091883
PubChem ID:71630011
Update Time:2025-04-21

tert-Butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
    • E89125
    • AKOS023410529
    • CS-0446317
    • 1-Pyrrolidinecarboxylic acid, 3-(2-chloroethyl)-, 1,1-dimethylethyl ester
    • DB-233227
    • 1-Boc-3-(2-Chloroethyl)pyrrolidine
    • 1420811-53-5
    • MDL： MFCD24381654
    • Inchi： 1S/C11H20ClNO2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-8H2,1-3H3
    • InChI Key： QBFJJWWERKMUEE-UHFFFAOYSA-N
    • SMILES： ClCCC1CN(C(=O)OC(C)(C)C)CC1

Computed Properties

  • Exact Mass: 233.1182566Da
  • Monoisotopic Mass: 233.1182566Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 225
  • 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: 2.4
  • Topological Polar Surface Area: 29.5?2

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