Cas no 417727-40-3 (tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate)

tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate structure
417727-40-3 structure
Product Name:tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CAS No:417727-40-3
MF:C11H18N2O3
MW:226.272222995758
MDL:MFCD08693858
CID:2094151
PubChem ID:16638505
Update Time:2025-09-21

tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
    • 8-Boc-3,8-diazabicyclo[3.2.1]octan-2-one
    • 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
    • AKOS025289622
    • AKOS000279561
    • OXGZIGAYYGRTHO-UHFFFAOYSA-N
    • SB11226
    • MFCD08693858
    • AS-50583
    • DB-208092
    • tert-Butyl2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
    • SCHEMBL1485616
    • W14604
    • SY124268
    • 417727-40-3
    • 8-Boc-2-oxo-3,8-diazabicyclo[3.2.1]octane
    • 2-Oxo-3,8-diaza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
    • 8-Boc-3,8-diazabicyclo(3.2.1)octan-2-one
    • XPC91966
    • 873-226-8
    • MDL： MFCD08693858
    • Inchi： 1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-4-5-8(13)9(14)12-6-7/h7-8H,4-6H2,1-3H3,(H,12,14)
    • InChI Key： OXGZIGAYYGRTHO-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1C2C(NCC1CC2)=O)=O

Computed Properties

  • Exact Mass: 226.13200
  • Monoisotopic Mass: 226.13174244g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 322
  • 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: 0.8
  • Topological Polar Surface Area: 58.6?2

Experimental Properties

  • PSA: 58.64000
  • LogP: 1.15100

tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
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D496278-10g
tert-butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
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tert-butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
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tert-butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
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tert-Butyl 2-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate Related Literature

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