Cas no 154634-95-4 ((3S,5S)-4-tert-butoxycarbonyl-3,5-dimethylmorpholine)

(3S,5S)-4-tert-butoxycarbonyl-3,5-dimethylmorpholine structure
154634-95-4 structure
Product Name:(3S,5S)-4-tert-butoxycarbonyl-3,5-dimethylmorpholine
CAS No:154634-95-4
MF:C11H21NO3
MW:215.289343595505
CID:3039352
PubChem ID:57547100
Update Time:2025-04-21

(3S,5S)-4-tert-butoxycarbonyl-3,5-dimethylmorpholine Chemical and Physical Properties

Names and Identifiers

    • (3S,5S)-4-tert-butoxycarbonyl-3,5-dimethylmorpholine
    • (S,S)-3,5-dimethylmorpholine-4-carboxylic acid tert-butyl ester; trans-(2S,5S)-1-(tert-butoxycarbonyl)-2,5-dimethylmorpholine; tert-butyl (3S,5S)-3,5-dimethylmorpholine-4-carboxylate
    • 154634-95-4
    • 1,1-Dimethylethyl (3S,5S)-3,5-dimethyl-4-morpholinecarboxylate
    • DTXSID701178653
    • SCHEMBL1885718
    • (3S,5S)-Tert-butyl3,5-dimethylmorpholine-4-carboxylate
    • F18924
    • (3S, 5S)-4-tert-Butoxycarbonyl-3,5-dimethylmorpholine
    • (3S,5S)-Tert-butyl 3,5-dimethylmorpholine-4-carboxylate
    • ABUPJBWQVITJLQ-IUCAKERBSA-N
    • Inchi: 1S/C11H21NO3/c1-8-6-14-7-9(2)12(8)10(13)15-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
    • InChI Key: ABUPJBWQVITJLQ-IUCAKERBSA-N
    • SMILES: O1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1

Computed Properties

  • Exact Mass: 215.15200
  • Monoisotopic Mass: 215.15214353Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 224
  • 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: 1.6
  • Topological Polar Surface Area: 38.8?2

Experimental Properties

  • PSA: 38.77000
  • LogP: 1.96860
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