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Home> Hot Product Listed N   > n-(2-methylphenyl)piperidin-4-amine
32188-17-3 structure

n-(2-methylphenyl)piperidin-4-amine

Iupac Name:3-chloro-1-methylpyridin-1-ium;iodide
CAS No.:32188-17-3
Molecular Weight:255.483
Molecular Formula:C16H16CLN3O3S (isomer)
Names and Identifiers
Synonyms

AC1Q2G44 AKOS010244430 BBL018655 CHEMBL3551896 CTK6C2183 EN300-60884 MOLPORT-009-083-910 n-(o-tolyl)piperidin-4-amine SCHEMBL82901 T8384 ZINC38040610

Inchi
InChI=1S/C6H7ClN.HI/c1-8-4-2-3-6(7)5-8;/h2-5H,1H3;1H/q+1;/p-1
InChkey
YHSDQSNVWSBFOD-UHFFFAOYSA-M
Canonical Smiles
C[N+]1=CC=CC(=C1)Cl.[I-]
Computational chemical data
  • Molecular Weight:255.483g/mol
  • Molecular Formula:C16H16CLN3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:254.931
  • Monoisotopic Mass:254.931
  • Complexity:74.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.9A^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:2
  • CACTVS Substructure Key Fingerprint: AAADcYBiAAAEAgAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIAAAAACALBEiQ+gJMMEACg ADBnRACCgCAxByAI2CA4ZpgIIOLBk5HEIAhggADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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