Cas no 42930-05-2 (Carbamoperoxoic acid,ethyl-, 1,1-dimethylethyl ester (9CI))

Carbamoperoxoic acid,ethyl-, 1,1-dimethylethyl ester (9CI) structure
42930-05-2 structure
Product Name:Carbamoperoxoic acid,ethyl-, 1,1-dimethylethyl ester (9CI)
CAS No:42930-05-2
MF:C7H15NO3
MW:161.198902368546
CID:333513
PubChem ID:330260
Update Time:2025-04-19

Carbamoperoxoic acid,ethyl-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamoperoxoic acid,ethyl-, 1,1-dimethylethyl ester (9CI)
    • tert-butyl N-ethylcarbamoperoxoate
    • AC1L76IG
    • Aethylcarbamoyl-tert-butyl-peroxid
    • Aethyl-peroxycarbamidsaeure-tert-butylester
    • AG-F-52373
    • CTK4I6802
    • ethyl-peroxycarbamic acid tert-butyl ester
    • N-ethylcarbamoperoxoic acid tert-butyl ester
    • NSC317338
    • tert.-Butyl-N-ethyl-peroxycarbamat
    • TERT-BUTOXY N-ETHYLCARBAMATE
    • DTXSID50317534
    • NSC-317338
    • FT-0700630
    • 42930-05-2
    • SCHEMBL17206239
    • Inchi: 1S/C7H15NO3/c1-5-8-6(9)10-11-7(2,3)4/h5H2,1-4H3,(H,8,9)
    • InChI Key: VSHNKPLBANPFNT-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)OC(NCC)=O

Computed Properties

  • Exact Mass: 161.10525
  • Monoisotopic Mass: 161.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 128
  • 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: 1.3
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • PSA: 47.56
  • LogP: 1.85350
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