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Home> Hot Product Listed N   > n,n-diethyl-2,6-cis-dimethylpiperidinium iodide
14442-12-7 structure

n,n-diethyl-2,6-cis-dimethylpiperidinium iodide

Iupac Name:3-phenyl-1,2-oxazole-5-carboxylic acid
CAS No.:14442-12-7
Molecular Weight:189.17
Molecular Formula:C16H23N3O (isomer)
Names and Identifiers
Synonyms

D40004 mfcd06858477

Inchi
InChI=1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChkey
YGTFDJRCCBKLDM-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O
Properties
Melting Point
159-163 °C(lit.)
Vapour
2.51E-08mmHg at 25°C
Safety and Handling
Safety Statements
Hazard Codes XiWGK Germany 3
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:189.17g/mol
  • Molecular Formula:C16H23N3O
  • Compound Is Canonicalized:True
  • Exact Mass:189.043
  • Monoisotopic Mass:189.043
  • Complexity:213
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.3A^2
  • Heavy Atom Count:14
  • 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: AAADcYByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAECAAADAyBngAwjJAQAgCp A6TySgKCAAAkIgAomCF2bNoJJrqAlZOAcYBmwBkJ2ce8yLCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:+86-21-54420853;13120882795;+86-21-34621078
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