Cas no 1147558-40-4 (tert-butyl exo-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate)

tert-butyl exo-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate structure
1147558-40-4 structure
Product Name:tert-butyl exo-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
CAS No:1147558-40-4
MF:C13H20N2O2
MW:236.310103416443
MDL:MFCD23381617
CID:3163068
PubChem ID:50999099
Update Time:2025-04-21

tert-butyl exo-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate Chemical and Physical Properties

Names and Identifiers

    • exo-8-Boc-3-cyano-8-azabicyclo[3.2.1]octane
    • tert-butyl exo-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
    • AS-34659
    • SCHEMBL16116400
    • Z2044794561
    • CS-0049354
    • exo-8-Boc-8-azabicyclo[3.2.1]octane-3-carbonitrile
    • MFCD23381617
    • TERT-BUTYL (1R,3R,5S)-3-CYANO-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE
    • AKOS034818735
    • Exo-tert-butyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
    • 1346144-22-6
    • (1 S,5R)-3-cyano-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
    • tert-butyl (1S,5R)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
    • tert-butyl (1R,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
    • EN300-344118
    • Z1505711998
    • tert-butyl (1R,3s,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
    • AKOS025212985
    • EN300-6740563
    • 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3-exo)-
    • UVURMTGIVKSLEM-FGWVZKOKSA-N
    • Exo-tert-butyl3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
    • REL-(1R,3R,5S)-TERT-BUTYL 3-CYANO-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE
    • SCHEMBL16115131
    • SCHEMBL16135448
    • (1S,5R)-3-cyano-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
    • N-Boc-3-Cyano-8-azabicyclo[3.2.1]octane
    • 1147558-40-4
    • D73084
    • MDL: MFCD23381617
    • Inchi: 1S/C13H20N2O2/c1-13(2,3)17-12(16)15-10-4-5-11(15)7-9(6-10)8-14/h9-11H,4-7H2,1-3H3/t9?,10-,11+
    • InChI Key: UVURMTGIVKSLEM-FGWVZKOKSA-N
    • SMILES: O(C(C)(C)C)C(N1[C@H]2CC(C#N)C[C@@H]1CC2)=O

Computed Properties

  • Exact Mass: 236.152477885g/mol
  • Monoisotopic Mass: 236.152477885g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 349
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 53.3?2

tert-butyl exo-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate Pricemore >>

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