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Home> Hot Product Listed T   > T6547147
191608-11-4 structure

T6547147

Iupac Name:6-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CAS No.:191608-11-4
Molecular Weight:199.678
Molecular Formula:C10H8CLN5OS3 (isomer)
Names and Identifiers
Synonyms

MCULE-8324967043 MOLPORT-009-508-430 n-[(furan-2-yl)methyl]-n,4-dimethylquinolin-2-amine Z31183537 ZINC40160666

Inchi
InChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(6-7)9(11)4-5-12-10;/h2-3,6,9H,4-5,11H2,1H3;1H
InChkey
XDTASUXSWBNHHX-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(C=C1)OCCC2N.Cl
Computational chemical data
  • Molecular Weight:199.678g/mol
  • Molecular Formula:C10H8CLN5OS3
  • Compound Is Canonicalized:True
  • Exact Mass:199.076
  • Monoisotopic Mass:199.076
  • Complexity:160
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAHgAQAAAADCzhmAYyBoBABACA AiBCAACCCAAgIAAIiIAGDIgMJiKEsRuCOCDm0BEIqAeQwOAOIAACAAAIAABAAAQAABAAAAAAAAAA AA==
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