Cas no 512822-27-4 (tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate)

tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate structure
512822-27-4 structure
Product Name:tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CAS No:512822-27-4
MF:C13H21NO3
MW:239.310744047165
MDL:MFCD20275544
CID:68355
PubChem ID:45790088
Update Time:2025-09-17

tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate Chemical and Physical Properties

Names and Identifiers

    • N-Boc-9-Azabicyclo[3.3.1]nonan-3-one
    • 9-Boc-3-oxo-9-azabicyclo[3.3.1]nonane
    • tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
    • 3-Oxo-9-azabicyclo[3.3.1]nonane-9-carboxylicacid tert-butyl ester
    • 3-OXO-9-AZA-BICYCLO[3.3.1]NONANE-9-CARBOXYLIC ACID TERT-BUTYL ESTER
    • YEKYAQUJESJBFI-UHFFFAOYSA-N
    • LS40405
    • RP28373
    • PB10805
    • FCH1630066
    • TRA0029803
    • SY001222
    • 9-Boc-9-azabicyclo[3.3.1]nonan-3-one
    • AX8033876
    • AB1001173
    • ST2419691
    • AB0025208
    • A828512
    • tert-butyl 3-oxidanylidene-9-azabicyclo[3.3.1]nonane-9-carboxylate
    • 512822-27-4
    • SCHEMBL156133
    • CS-W006193
    • AKOS015920224
    • FT-0649926
    • Octadecanoicacidcadmiumsalt
    • EN300-1229123
    • DTXSID10672217
    • 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester
    • AM20100257
    • J-523510
    • tert-butyl3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
    • MFCD20275544
    • AS-18391
    • AC-2445
    • DB-018054
    • MDL： MFCD20275544
    • Inchi： 1S/C13H21NO3/c1-13(2,3)17-12(16)14-9-5-4-6-10(14)8-11(15)7-9/h9-10H,4-8H2,1-3H3
    • InChI Key： YEKYAQUJESJBFI-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1C2CC(CC1CCC2)=O)=O

Computed Properties

  • Exact Mass: 239.15200
  • Monoisotopic Mass: 239.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 316
  • 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
  • Topological Polar Surface Area: 46.6
  • XLogP3: 1.5

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.1
  • Melting Point: 95-100°C
  • Boiling Point: 342.9°C at 760 mmHg
  • Flash Point: 342.9 °C at 760 mmHg
  • Refractive Index: 1.5
  • PSA: 46.61000
  • LogP: 2.44540
  • Vapor Pressure: No data available

tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate Security Information

tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate Pricemore >>

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JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
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tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate Production Method

tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate Related Literature

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