Cas no 1668-82-2 (Oxazolidine, 3,4-dimethyl-5-phenyl-)

Oxazolidine, 3,4-dimethyl-5-phenyl- structure
1668-82-2 structure
Product Name:Oxazolidine, 3,4-dimethyl-5-phenyl-
CAS No:1668-82-2
MF:C11H15NO
MW:177.242902994156
CID:96319
Update Time:2024-01-24

Oxazolidine, 3,4-dimethyl-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Oxazolidine, 3,4-dimethyl-5-phenyl-
    • (2S,4S)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
    • Inchi: 1S/C11H15NO/c1-9-11(13-8-12(9)2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
    • InChI Key: POZQVPIDBKNJTK-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC=CC=C2)C(C)N(C)C1

Computed Properties

  • Exact Mass: 177.11545
  • Monoisotopic Mass: 177.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 166
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • PSA: 12.47

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