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Home> Hot Product Listed F   > F5651-0137
13571-04-5 structure

F5651-0137

Iupac Name:O-(2-phenylethyl)hydroxylamine;hydrochloride
CAS No.:13571-04-5
Molecular Weight:173.64
Molecular Formula:C32H34CLNO (isomer)
Names and Identifiers
Synonyms

AKOS024516402 MCULE-4428521973 MOLPORT-009-740-215 n-(2-(4-(4-phenylpiperazin-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)butane-1-sulfonamide sr-01000924185 SR-01000924185-1 VU0649595-1 ZINC35598425

Inchi
InChI=1S/C8H11NO.ClH/c9-10-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChkey
MUPSJLRUCGYRTR-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CCON.Cl
Properties
Vapour
0.0133mmHg at 25°C
Computational chemical data
  • Molecular Weight:173.64g/mol
  • Molecular Formula:C32H34CLNO
  • Compound Is Canonicalized:True
  • Exact Mass:173.061
  • Monoisotopic Mass:173.061
  • Complexity:79.3
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:11
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAUAAAADACgmAIwAIAAAACA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAkwAEIiAeAwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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