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Home> Hot Product Listed 2   > 2-iodo-5-methoxy-4-isopropoxybenzylamine
64608-21-5 structure

2-iodo-5-methoxy-4-isopropoxybenzylamine

Iupac Name:2-[3,3-bis(methylsulfanyl)-1-phenylprop-2-enylidene]propanedinitrile
CAS No.:64608-21-5
Molecular Weight:272.38848
Molecular Formula:C7H8N4O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C14H12N2S2/c1-17-14(18-2)8-13(12(9-15)10-16)11-6-4-3-5-7-11/h3-8H,1-2H3
Canonical Smiles
CSC(=CC(=C(C#N)C#N)C1=CC=CC=C1)SC
Properties
Melting Point
117 °C
Refractive Index
1.627
Computational chemical data
  • Molecular Weight:272.38848g/mol
  • Molecular Formula:C7H8N4O
  • Exact Mass:272.04419
  • Monoisotopic Mass:272.04419
  • Complexity:415
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:98.2
  • Heavy Atom Count:18
  • 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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