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Home> Hot Product Listed T   > T6641019
35975-29-2 structure

T6641019

Iupac Name:N-[5-(hydroxyamino)-2,6-dihydro-1H-pyrazin-3-ylidene]hydroxylamine
CAS No.:35975-29-2
Molecular Weight:144.134
Molecular Formula:C22H32N2O3 (isomer)
Names and Identifiers
Synonyms

[(2h-1,3-benzodioxol-4-yl)methyl][(4,5-dimethyl-4h-1,2,4-triazol-3-yl)methyl][(furan-2-yl)methyl]amine CHEMBL3455662 MCULE-4864684694 MOLPORT-009-080-956 Z650025868 ZINC48301608

Inchi
InChI=1S/C4H8N4O2/c9-7-3-1-5-2-4(6-3)8-10/h5,9-10H,1-2H2,(H,6,7,8)
InChkey
SLTRDVWZAYNXNY-UHFFFAOYSA-N
Canonical Smiles
C1C(=NC(=NO)CN1)NO
Isomers Smiles
C1C(=N/C(=N\O)/CN1)NO
Properties
Refractive Index
1.722
Computational chemical data
  • Molecular Weight:144.134g/mol
  • Molecular Formula:C22H32N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:144.065
  • Monoisotopic Mass:144.065
  • Complexity:176
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:89.2A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjsAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHAAUCAAAAADBAAQBAALQAAAg AAIgJAAAAAEAAAAgAIAYAAAAQAAAAAAQAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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