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Home> Hot Product Listed E   > ethyl[(4-methoxyphenyl)(pyridin-3-yl)methyl]amine
16462-28-5 structure

ethyl[(4-methoxyphenyl)(pyridin-3-yl)methyl]amine

Iupac Name:6-amino-2-oxo-1H-pyrimidine-5-carbonitrile
CAS No.:16462-28-5
Molecular Weight:136.11146
Molecular Formula:C11H10F3NO5S (isomer)
Names and Identifiers
Synonyms

AC1Q31FC AKOS009521048 CHEMBL3496397 EN300-72295 MCULE-8466407645 MOLPORT-015-071-383 NE50439 Z1222278736

Inchi
InChI=1/C5H4N4O/c6-1-3-2-8-5(10)9-4(3)7/h2H,(H3,7,8,9,10)
Canonical Smiles
C1=NC(=O)NC(=C1C#N)N
Properties
Refractive Index
1.731
Computational chemical data
  • Molecular Weight:136.11146g/mol
  • Molecular Formula:C11H10F3NO5S
  • Exact Mass:136.038511
  • Monoisotopic Mass:136.038511
  • Complexity:279
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:91.3
  • Heavy Atom Count:10
  • 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
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