Cas no 698353-37-6 (Bicyclo[2.2.1]heptane-2,5-diamine,(1R,2R,4R,5R)-rel-)

Bicyclo[2.2.1]heptane-2,5-diamine,(1R,2R,4R,5R)-rel- structure
698353-37-6 structure
Product Name:Bicyclo[2.2.1]heptane-2,5-diamine,(1R,2R,4R,5R)-rel-
CAS No:698353-37-6
MF:C7H14N2
MW:126.199461460114
CID:500467
Update Time:2024-01-30

Bicyclo[2.2.1]heptane-2,5-diamine,(1R,2R,4R,5R)-rel- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]heptane-2,5-diamine,(1R,2R,4R,5R)-rel-
    • Bicyclo[2.2.1]heptane-2,5-diamine, (1R,2R,4R,5R)-rel- (9CI)
    • Inchi: 1S/C7H14N2/c8-6-2-4-1-5(6)3-7(4)9/h4-7H,1-3,8-9H2/t4-,5-,6-,7-/m1/s1
    • InChI Key: KVMMOSKKPJEDNG-DBRKOABJSA-N
    • SMILES: [C@@]12([H])C[C@@]([H])([C@H](N)C1)C[C@H]2N

Computed Properties

  • Exact Mass: 126.116
  • Monoisotopic Mass: 126.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 110
  • 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
  • Topological Polar Surface Area: 52A^2
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