Cas no 52580-60-6 (Bicyclo[3.1.1]heptane-2-methanamine,6,6-dimethyl-, (1a,2a,5a)- (9CI))

Bicyclo[3.1.1]heptane-2-methanamine,6,6-dimethyl-, (1a,2a,5a)- (9CI) structure
52580-60-6 structure
Product Name:Bicyclo[3.1.1]heptane-2-methanamine,6,6-dimethyl-, (1a,2a,5a)- (9CI)
CAS No:52580-60-6
MF:C10H19N
MW:153.26456284523
CID:373163
PubChem ID:104241
Update Time:2025-04-19

Bicyclo[3.1.1]heptane-2-methanamine,6,6-dimethyl-, (1a,2a,5a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.1.1]heptane-2-methanamine,6,6-dimethyl-, (1a,2a,5a)- (9CI)
    • (-)-cis-(pinan-2-ylmethyl)amine
    • 1-(2,6,6-trimethylbicyclo[3.1.1]hept-2-yl)methanamine
    • AKOS015894827
    • Myrtanylamine, trans-(+/-)-
    • Bicyclo[3.1.1]heptane-2-methanamine, 6,6-dimethyl-, (1alpha,2alpha,5alpha)-
    • V7F8W23LY9
    • ((1r,4r,5r)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methanamine
    • EINECS 258-018-1
    • DTXSID301174392
    • [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
    • UNII-V7F8W23LY9
    • SCHEMBL1250842
    • 52580-60-6
    • [(1R,4R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methanamine
    • Inchi： 1S/C10H19N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9H,3-6,11H2,1-2H3/t7-,8+,9+/m0/s1
    • InChI Key： SYJBFPCQIJQYNV-DJLDLDEBSA-N
    • SMILES： NC[C@@H]1CC[C@@H]2C[C@H]1C2(C)C

Computed Properties

  • Exact Mass: 167.16753
  • Monoisotopic Mass: 153.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 0.895
  • Boiling Point: 197.6°C at 760 mmHg
  • Flash Point: 68.2°C
  • Refractive Index: 1.474
  • PSA: 26.02

Bicyclo[3.1.1]heptane-2-methanamine,6,6-dimethyl-, (1a,2a,5a)- (9CI) Related Literature

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