Cas no 776330-76-8 (3-amino-3-{bicyclo2.2.1heptan-2-yl}propanoic acid)

3-amino-3-{bicyclo2.2.1heptan-2-yl}propanoic acid structure
776330-76-8 structure
Product Name:3-amino-3-{bicyclo2.2.1heptan-2-yl}propanoic acid
CAS No:776330-76-8
MF:C10H17NO2
MW:183.24748301506
CID:5704385
PubChem ID:129927613
Update Time:2023-11-27

3-amino-3-{bicyclo2.2.1heptan-2-yl}propanoic acid Chemical and Physical Properties

Names and Identifiers

    • beta-Aminobicyclo[2.2.1]heptane-2-propanoic acid
    • 3-amino-3-{bicyclo[2.2.1]heptan-2-yl}propanoic acid
    • 3-AMINO-3-(BICYCLO[2.2.1]HEPTAN-2-YL)PROPANOICACID
    • DTXSID201252002
    • EN300-1286606
    • 3-AMINO-3-(BICYCLO[2.2.1]HEPTAN-2-YL)PROPANOIC ACID
    • 776330-76-8
    • Bicyclo[2.2.1]heptane-2-propanoic acid, β-amino-
    • 3-amino-3-{bicyclo2.2.1heptan-2-yl}propanoic acid
    • Inchi: 1S/C10H17NO2/c11-9(5-10(12)13)8-4-6-1-2-7(8)3-6/h6-9H,1-5,11H2,(H,12,13)
    • InChI Key: LVGFIIKOBHJGDO-UHFFFAOYSA-N
    • SMILES: OC(CC(C1CC2CCC1C2)N)=O

Computed Properties

  • Exact Mass: 183.125928785g/mol
  • Monoisotopic Mass: 183.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 217
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.1
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.177±0.06 g/cm3(Predicted)
  • Boiling Point: 332.8±25.0 °C(Predicted)
  • pka: 3.62±0.12(Predicted)

3-amino-3-{bicyclo2.2.1heptan-2-yl}propanoic acid Pricemore >>

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