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Home> Hot Product Listed 1   > (11e,13z)-1,11,13-hexadecatriene
7256-21-5 structure

(11e,13z)-1,11,13-hexadecatriene

Iupac Name:2-methylpiperidine;2-methylpiperidine-1-carbodithioic acid
CAS No.:7256-21-5
Molecular Weight:274.485
Molecular Formula:C10H22N2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C7H13NS2.C6H13N/c1-6-4-2-3-5-8(6)7(9)10;1-6-4-2-3-5-7-6/h6H,2-5H2,1H3,(H,9,10);6-7H,2-5H2,1H3
InChkey
HIZBYGUSYOUVAB-UHFFFAOYSA-N
Canonical Smiles
CC1CCCCN1.CC1CCCCN1C(=S)S
Properties
Melting Point
132 °C
Computational chemical data
  • Molecular Weight:274.485g/mol
  • Molecular Formula:C10H22N2
  • Compound Is Canonicalized:True
  • Exact Mass:274.154
  • Monoisotopic Mass:274.154
  • Complexity:188
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:48.4A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBzAABgAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAAAAAAHAQQAAAACCjBAAQCAAPAAAQE AAAAAAAAAAAAAAgAAIAIAAAAAAIAgAAEAAAAEACAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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