Cas no 53871-08-2 (tert-butyl azetidine-3-carboxylate;hydrochloride)

tert-butyl azetidine-3-carboxylate;hydrochloride structure
53871-08-2 structure
Product Name:tert-butyl azetidine-3-carboxylate;hydrochloride
CAS No:53871-08-2
MF:C8H16ClNO2
MW:193.671141624451
MDL:MFCD20528798
CID:858798
PubChem ID:67346984
Update Time:2024-11-02

tert-butyl azetidine-3-carboxylate;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl azetidine-3-carboxylate HCl
    • tert-Butyl azetidine-3-carboxylate hydrochloride
    • JROLDIFBZMRPMP-UHFFFAOYSA-N
    • SB10204
    • AK503913
    • tert-butyl azetidine-3-carboxylate;hydrochloride
    • azetidine-3-carboxylic acid tert-butyl ester hydrochloride
    • SY148538
    • A50754
    • A905478
    • SCHEMBL2281859
    • AKOS026743444
    • AS-63567
    • EN300-125861
    • CS-0043117
    • MFCD20528798
    • 53871-08-2
    • tert-Butylazetidine-3-carboxylatehydrochloride
    • DB-246378
    • SY373132
    • MDL: MFCD20528798
    • Inchi: 1S/C8H15NO2.ClH/c1-8(2,3)11-7(10)6-4-9-5-6;/h6,9H,4-5H2,1-3H3;1H
    • InChI Key: JROLDIFBZMRPMP-UHFFFAOYSA-N
    • SMILES: Cl.O(C(C1CNC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 193.0869564g/mol
  • Monoisotopic Mass: 193.0869564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 156
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.3

tert-butyl azetidine-3-carboxylate;hydrochloride Security Information

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