Cas no 16006-08-9 (Ethanol, 2-butoxy-,1-carbamate)

Ethanol, 2-butoxy-,1-carbamate structure
16006-08-9 structure
Product Name:Ethanol, 2-butoxy-,1-carbamate
CAS No:16006-08-9
MF:C7H15NO3
MW:161.198902368546
CID:197401
PubChem ID:27621
Update Time:2025-04-19

Ethanol, 2-butoxy-,1-carbamate Chemical and Physical Properties

Names and Identifiers

    • Ethanol, 2-butoxy-,1-carbamate
    • 2-butoxyethyl carbamate
    • ethanol, 2-butoxy-, carbamate
    • (2-Butoxyethyl) carbamate
    • n-butoxyethyl carbamate
    • 16006-08-9
    • QHHQZURUTXQADT-UHFFFAOYSA-N
    • CARBAMIC ACID, (2-BUTOXYETHYL)ESTER
    • Butoxyethyl-carbamate
    • BRN 1761461
    • SCHEMBL8431991
    • DTXSID00166791
    • Inchi: 1S/C7H15NO3/c1-2-3-4-10-5-6-11-7(8)9/h2-6H2,1H3,(H2,8,9)
    • InChI Key: QHHQZURUTXQADT-UHFFFAOYSA-N
    • SMILES: O(CCOC(N)=O)CCCC

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: 7
  • Complexity: 106
  • 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: 0.6
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • PSA: 61.55
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