Cas no 57357-85-4 (Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, (1S,2S,3S,5R)-)

Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, (1S,2S,3S,5R)- structure
57357-85-4 structure
Product Name:Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, (1S,2S,3S,5R)-
CAS No:57357-85-4
MF:C11H21N
MW:167.29114317894
CID:379800
PubChem ID:93644
Update Time:2025-04-19

Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, (1S,2S,3S,5R)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, (1S,2S,3S,5R)-
    • (1S,2S,3S,5R)-3-(aminomethyl)pinane
    • [1S-(1alpha,2beta,3alpha,5alpha)]-[2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methylamine
    • (1S-(1alpha,2beta,3alpha,5alpha))-(2,6,6-Trimethylbicyclo(3.1.1)hept-3-yl)methylamine
    • 1-(2,6,6-trimethylbicyclo[3.1.1]hept-3-yl)methanamine
    • 1-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]methanamine
    • W-111133
    • DTXSID501036322
    • [1S-(1,2,3,5)]-[2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]methylamine
    • 57357-85-4
    • EINECS 260-694-8
    • Inchi： 1S/C11H21N/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h7-10H,4-6,12H2,1-3H3/t7-,8-,9+,10+/m1/s1
    • InChI Key： MUOITVAMHSVXLO-IMSYWVGJSA-N
    • SMILES： NC[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C

Computed Properties

  • Exact Mass: 167.167
  • Monoisotopic Mass: 167.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 185
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 0.888
  • Boiling Point: 198.3°Cat760mmHg
  • Flash Point: 68.7°C
  • Refractive Index: 1.47
  • PSA: 26.02000
  • LogP: 2.96370

Bicyclo[3.1.1]heptane-3-methanamine,2,6,6-trimethyl-, (1S,2S,3S,5R)- Related Literature

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