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Home> Encyclopedia > Hot Product Listed S   > SCHEMBL11636112
66346-90-5 structure

SCHEMBL11636112

Iupac Name:3-N,3-N-diethylpyridazine-3,6-diamine
CAS No.:66346-90-5
Molecular Weight:166.228
Molecular Formula:C8H14N4 (isomer)
Names and Identifiers
Synonyms

3,6-pyridazinediamine, n3,n3-diethyl- F1967-6771 n3,n3-diethylpyridazine-3,6-diamine ZINC59863545

Inchi
InChI=1S/C8H14N4/c1-3-12(4-2)8-6-5-7(9)10-11-8/h5-6H,3-4H2,1-2H3,(H2,9,10)
InChkey
ZGDBMBXBBFEGIB-UHFFFAOYSA-N
Canonical Smiles
CCN(CC)C1=NN=C(C=C1)N
Computational chemical data
  • Molecular Weight:166.228g/mol
  • Molecular Formula:C8H14N4
  • Compound Is Canonicalized:True
  • Exact Mass:166.122
  • Monoisotopic Mass:166.122
  • Complexity:124
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:55A^2
  • Heavy Atom Count:12
  • 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: AAADccBzgAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAYAAAACADBEgQzsJNAAACi ACJiYACSBAIhAgAdmCA4ZJiIIIBAiIEEgAhQGALAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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