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Home> Hot Product Listed T   > T6565919
67809-15-8 structure

T6565919

Iupac Name:N-nitroso-N-propylacetamide
CAS No.:67809-15-8
Molecular Weight:130.147
Molecular Formula:C8H6F3NO3 (isomer)
Names and Identifiers
Synonyms

2-(2-cyanophenoxy)-n-cyclopentyl-n-methylacetamide AKOS008074582 MCULE-8122449904 MOLPORT-009-146-153 Z191831266 ZINC37022468

Inchi
InChI=1S/C5H10N2O2/c1-3-4-7(6-9)5(2)8/h3-4H2,1-2H3
InChkey
PPGQNFVRUSFPKG-UHFFFAOYSA-N
Canonical Smiles
CCCN(C(=O)C)N=O
Properties
Refractive Index
1.472
Safety and Handling
Safety Statements
Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:130.147g/mol
  • Molecular Formula:C8H6F3NO3
  • Compound Is Canonicalized:True
  • Exact Mass:130.074
  • Monoisotopic Mass:130.074
  • Complexity:114
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.7A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAMAAAACADBgAQCAAIAAAAJ AAEQEAAAAAAAAAASAAAIAAAAAAAAAAAEAAAABgCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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