Cas no 676461-49-7 ((1S,4S,5R)-2-Azabicyclo[2.2.1]heptan-5-amine)

(1S,4S,5R)-2-Azabicyclo[2.2.1]heptan-5-amine structure
676461-49-7 structure
Product Name:(1S,4S,5R)-2-Azabicyclo[2.2.1]heptan-5-amine
CAS No:676461-49-7
MF:C6H12N2
MW:112.172881126404
CID:2851217
Update Time:2023-08-10

(1S,4S,5R)-2-Azabicyclo[2.2.1]heptan-5-amine Chemical and Physical Properties

Names and Identifiers

    • (1S,4S,5R)-2-Azabicyclo[2.2.1]heptan-5-amine
    • Inchi: 1S/C6H12N2/c7-6-2-5-1-4(6)3-8-5/h4-6,8H,1-3,7H2/t4-,5-,6+/m0/s1
    • InChI Key: IAXKDYYTMWUUIA-HCWXCVPCSA-N
    • SMILES: N1C[C@H]2[C@@H](C[C@@H]1C2)N

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 103
  • XLogP3: -0.5
  • Topological Polar Surface Area: 38
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