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Home> Encyclopedia > Hot Product Listed 2   > 2-Propenamide,N-hexadecyl-2-methyl-
18097-52-4 structure

2-Propenamide,N-hexadecyl-2-methyl-

Iupac Name:(NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine
CAS No.:18097-52-4
Molecular Weight:246.694
Molecular Formula:C5H10N2 (isomer)
Names and Identifiers
Synonyms

N-Hexadecyl-2-methylprop-2-enamide N-Hexadecylmethacrylamide

Inchi
InChI=1S/C13H11ClN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2/b16-13+
InChkey
GCAVNCINXJNLED-DTQAZKPQSA-N
Canonical Smiles
C1=CC=C(C=C1)C(=NO)C2=C(C=CC(=C2)Cl)N
Properties
Vapour
2.47E-08mmHg at 25°C
Refractive Index
1.619
HS Code
29280090
Safety and Handling
Safety Statements
Safety Statements 24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:246.694g/mol
  • Molecular Formula:C5H10N2
  • Compound Is Canonicalized:True
  • Exact Mass:246.056
  • Monoisotopic Mass:246.056
  • Complexity:277
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58.6A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAIUCAAADAqBGCAwwIBQAACg AyRiQACCAAAgBwAIiAAgZpgIIKKBk5GAIABgkAAIyAcQgMAOAABAIAACAAAAAIBAAAQAAAAAAAAA AA==
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