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Home> Hot Product Listed A   > AKOS005296814
1219805-96-5 structure

AKOS005296814

Iupac Name:1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexan-1-amine
CAS No.:1219805-96-5
Molecular Weight:110.244g/mol
Molecular Formula:C11H10N4O (isomer)
Names and Identifiers
Synonyms

3-chloro-n-(cyclopropylmethyl)-4-methoxyaniline ZINC37118251

Inchi
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/i1D2,2D2,3D2,4D2,5D2,6D
InChkey
PAFZNILMFXTMIY-KAFHOZLVSA-N
Canonical Smiles
C1CCC(CC1)N
Computational chemical data
  • Molecular Weight:110.244g/molg/mol
  • Molecular Formula:C11H10N4O
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.5
  • Exact Mass:110.174
  • Monoisotopic Mass:110.174
  • Complexity:46.1
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:11
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQAAABAAAAA AAAAAAAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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