Cas no 280758-03-4 (Carbamic acid,[(1R,3S)-1-ethyl-3-hydroxybutyl]-, 1,1-dimethylethyl ester (9CI))

Carbamic acid,[(1R,3S)-1-ethyl-3-hydroxybutyl]-, 1,1-dimethylethyl ester (9CI) structure
280758-03-4 structure
Product Name:Carbamic acid,[(1R,3S)-1-ethyl-3-hydroxybutyl]-, 1,1-dimethylethyl ester (9CI)
CAS No:280758-03-4
MF:C11H23NO3
MW:217.305223703384
CID:248294
PubChem ID:11390321
Update Time:2025-04-19

Carbamic acid,[(1R,3S)-1-ethyl-3-hydroxybutyl]-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,[(1R,3S)-1-ethyl-3-hydroxybutyl]-, 1,1-dimethylethyl ester (9CI)
    • Carbamic acid,[(1R,3S)-1-ethyl-3-hydroxybutyl]-,1,1-dimethylethyl ester(9ci)
    • 280758-03-4
    • Inchi: 1S/C11H23NO3/c1-6-9(7-8(2)13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9+/m0/s1
    • InChI Key: TUOHMCNHHUDBAX-DTWKUNHWSA-N
    • SMILES: O(C(N[C@H](CC)C[C@H](C)O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 217.16779360g/mol
  • Monoisotopic Mass: 217.16779360g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 199
  • 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: 2
  • Topological Polar Surface Area: 58.6?2
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