Cas no 1327778-39-1 (Ethyl (4-(3-oxomorpholino)phenyl)carbamate)

Ethyl (4-(3-oxomorpholino)phenyl)carbamate structure
1327778-39-1 structure
Product Name:Ethyl (4-(3-oxomorpholino)phenyl)carbamate
CAS No:1327778-39-1
MF:C13H16N2O4
MW:264.277143478394
CID:1081136
PubChem ID:73554351
Update Time:2025-04-20

Ethyl (4-(3-oxomorpholino)phenyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • Ethyl (4-(3-oxomorpholino)phenyl)carbamate
    • ethyl 4-(3-oxomorpholino)phenylcarbamate
    • ethyl N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
    • Rivaroxaban Intermediate 2
    • 1327778-39-1
    • Ethyl(4-(3-oxomorpholino)phenyl)carbamate
    • RIVAROXABAN IMPURITY 39
    • ethyl 4-(3-oxoMorpholino) phenylcarbaMate
    • DA-34009
    • AKOS022186117
    • Inchi: 1S/C13H16N2O4/c1-2-19-13(17)14-10-3-5-11(6-4-10)15-7-8-18-9-12(15)16/h3-6H,2,7-9H2,1H3,(H,14,17)
    • InChI Key: PRRDMWLECDTUSJ-UHFFFAOYSA-N
    • SMILES: O1CC(N(C2C=CC(=CC=2)NC(=O)OCC)CC1)=O

Computed Properties

  • Exact Mass: 264.11108
  • Monoisotopic Mass: 264.11100700g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 327
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • Density: 1.287±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (2.4 g/l) (25 o C),
  • PSA: 67.87

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