Cas no 680624-13-9 ((1R,2R)-N~1~,N~2~-Diphenylcyclohexane-1,2-diamine)

(1R,2R)-N~1~,N~2~-Diphenylcyclohexane-1,2-diamine structure
680624-13-9 structure
Product Name:(1R,2R)-N~1~,N~2~-Diphenylcyclohexane-1,2-diamine
CAS No:680624-13-9
MF:C18H22N2
MW:266.380684375763
CID:2851250
PubChem ID:12550401
Update Time:2025-04-21

(1R,2R)-N~1~,N~2~-Diphenylcyclohexane-1,2-diamine Chemical and Physical Properties

Names and Identifiers

    • 680624-13-9
    • (1R,2R)-N~1~,N~2~-Diphenylcyclohexane-1,2-diamine
    • DTXSID90502225
    • (1R,2R)-N1,N2-Diphenylcyclohexane-1,2-diamine
    • DTXCID80453035
    • Inchi: 1S/C18H22N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-6,9-12,17-20H,7-8,13-14H2/t17-,18-/m1/s1
    • InChI Key: OWSIQKWSHAQSBW-QZTJIDSGSA-N
    • SMILES: N(C1C=CC=CC=1)[C@@H]1CCCC[C@H]1NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 266.178298710Da
  • Monoisotopic Mass: 266.178298710Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 24.1?2
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