Cas no 777010-06-7 (Bicyclo[5.1.0]octan-2-amine,(1R,2S,7S)-rel-)

Bicyclo[5.1.0]octan-2-amine,(1R,2S,7S)-rel- structure
777010-06-7 structure
Product Name:Bicyclo[5.1.0]octan-2-amine,(1R,2S,7S)-rel-
CAS No:777010-06-7
MF:C8H15N
MW:125.211402177811
CID:552900
Update Time:2022-09-22

Bicyclo[5.1.0]octan-2-amine,(1R,2S,7S)-rel- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[5.1.0]octan-2-amine,(1R,2S,7S)-rel-
    • Bicyclo[5.1.0]octan-2-amine,(1a,2b,7a)- (9CI)
    • Bicyclo[5.1.0]octan-2-amine, (1alpha,2beta,7alpha)- (9CI)
    • (1S,6S,7R)-bicyclo[5.1.0]octan-6-amine
    • Inchi: 1S/C8H15N/c9-8-4-2-1-3-6-5-7(6)8/h6-8H,1-5,9H2/t6-,7+,8-/m0/s1
    • InChI Key: QFPGJOABIUTJNB-RNJXMRFFSA-N
    • SMILES: [C@]12([H])[C@]([H])(C1)CCCC[C@@H]2N

Computed Properties

  • Exact Mass: 125.12
  • Monoisotopic Mass: 125.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 111
  • 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
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