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Home> Hot Product Listed T   > T6731951
40916-61-8 structure

T6731951

Iupac Name:(2S)-2-(methylamino)propan-1-ol;hydrochloride
CAS No.:40916-61-8
Molecular Weight:125.596
Molecular Formula:C24H24N2O3S (isomer)
Names and Identifiers
Synonyms

7-({[2-(3-fluorophenoxy)ethyl](methyl)amino}methyl)-2-methyl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one MCULE-6458804054 MOLPORT-009-081-278 Z650549248 ZINC53187107

Inchi
InChI=1S/C4H11NO.ClH/c1-4(3-6)5-2;/h4-6H,3H2,1-2H3;1H/t4-;/m0./s1
InChkey
ZDLYDAGNAVKVBZ-WCCKRBBISA-N
Canonical Smiles
CC(CO)NC.Cl
Computational chemical data
  • Molecular Weight:125.596g/mol
  • Molecular Formula:C24H24N2O3S
  • Compound Is Canonicalized:True
  • Exact Mass:125.061
  • Monoisotopic Mass:125.061
  • Complexity:30.7
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBiIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjhgAYCAALAAgAA AAAAAAAAAAAAAAAAAIAIAAACEAAAAAAAQAAAEAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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