Cas no 308266-29-7 (Carbamic acid,[2-ethyl-1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI))

Carbamic acid,[2-ethyl-1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI) structure
308266-29-7 structure
Product Name:Carbamic acid,[2-ethyl-1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI)
CAS No:308266-29-7
MF:C11H21NO3
MW:215.289343595505
CID:300548
Update Time:2024-01-27

Carbamic acid,[2-ethyl-1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,[2-ethyl-1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI)
    • Carbamic acid, [2-ethyl-1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester
    • Carbamic acid, [2-ethyl-1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI)
    • Inchi： 1S/C11H21NO3/c1-5-8-6-11(8,7-13)12-9(14)15-10(2,3)4/h8,13H,5-7H2,1-4H3,(H,12,14)
    • InChI Key： OHDMASYFRSDMHC-UHFFFAOYSA-N
    • SMILES： C(OC(C)(C)C)(=O)NC1(CO)CC1CC

Computed Properties

  • Exact Mass: 215.152
  • Monoisotopic Mass: 215.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 247
  • 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
  • Topological Polar Surface Area: 58.6A^2

Experimental Properties

  • Density: 1.06±0.1 g/cm3(Predicted)
  • Boiling Point: 318.1±11.0 °C(Predicted)
  • pka: 12.26±0.40(Predicted)

Carbamic acid,[2-ethyl-1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI) Related Literature

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