Cas no 121564-88-3 (Methyl 1-azabicyclo[2.2.1]heptane-3-carboxylate)

Methyl 1-azabicyclo[2.2.1]heptane-3-carboxylate structure
121564-88-3 structure
Product Name:Methyl 1-azabicyclo[2.2.1]heptane-3-carboxylate
CAS No:121564-88-3
MF:C8H13NO2
MW:155.194322347641
CID:1039747
PubChem ID:14235528
Update Time:2025-04-20

Methyl 1-azabicyclo[2.2.1]heptane-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 1-azabicyclo[2.2.1]heptane-3-carboxylate
    • Methyl exo-1-azabicyclo[2.2.1]heptane-3-carboxylate
    • (+/-)-exo-methyl 1-azabicyclo< 2.2.1> heptane-3-carboxylate
    • AGN-PC-000SV1
    • AK-79569
    • ANW-68466
    • CTK8C2481
    • exo-3-carbomethoxy-1-azabicyclo< 2.2.1> heptane
    • exo-3-carbomethoxy-1-azabicylo[2.2.1]heptane
    • exo-3-carbomethoxy-1-azabicylo< 2.2.1> heptane
    • KB-254833
    • L002012
    • SureCN7266907
    • exo-1-Azabicyclo[2.2.1]heptane-3-carboxylic acid methyl ester
    • 1-Azabicyclo[2.2.1]heptane-3-carboxylic acid, methyl ester, exo- (9CI)
    • SCHEMBL7266907
    • AKOS006273463
    • 1-Azabicyclo[2.2.1]heptane-3-carboxylic acid, methyl ester
    • DTXSID50557791
    • 121564-88-3
    • 122684-38-2
    • Inchi： 1S/C8H13NO2/c1-11-8(10)7-5-9-3-2-6(7)4-9/h6-7H,2-5H2,1H3
    • InChI Key： LVBCACDXSOCLCG-UHFFFAOYSA-N
    • SMILES： O(C)C(C1CN2CCC1C2)=O

Computed Properties

  • Exact Mass: 155.09469
  • Monoisotopic Mass: 155.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 0.3
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Density: 1.15±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 199.0±23.0 oC (760 Torr),
  • Flash Point: 78.2±13.5 oC,
  • Solubility: Dissolution (82 g/l) (25 o C),
  • PSA: 29.54

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