Cas no 156731-36-1 (tert-Butyl but-2-yn-1-ylcarbamate)

tert-Butyl but-2-yn-1-ylcarbamate structure
156731-36-1 structure
Product Name:tert-Butyl but-2-yn-1-ylcarbamate
CAS No:156731-36-1
MF:C9H15NO2
MW:169.220902681351
CID:107566
PubChem ID:10261498
Update Time:2025-04-18

tert-Butyl but-2-yn-1-ylcarbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl but-2-yn-1-ylcarbamate
    • N-Boc-But-3-yne
    • Carbamic acid, 2-butynyl-, 1,1-dimethylethyl ester (9CI)
    • Tert-butyl N-but-2-ynylcarbamate
    • EN300-7276575
    • 156731-36-1
    • TERT-BUTYL N-(BUT-2-YN-1-YL)CARBAMATE
    • SCHEMBL14404775
    • Inchi: 1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h7H2,1-4H3,(H,10,11)
    • InChI Key: UUBGOYDWONTCQW-UHFFFAOYSA-N
    • SMILES: O(C(NCC#CC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 169.11035
  • Monoisotopic Mass: 169.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 214
  • 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: 1.6
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • PSA: 38.33

tert-Butyl but-2-yn-1-ylcarbamate Pricemore >>

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