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Home> Encyclopedia > Hot Product Listed M   > MOLPORT-029-939-510
796869-33-5 structure

MOLPORT-029-939-510

Iupac Name:2-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CAS No.:796869-33-5
Molecular Weight:199.678
Molecular Formula:C10H14ClNO (isomer)
Names and Identifiers
Synonyms

2-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-amine hydrochloride AKOS026741513 NE19633 SCHEMBL3714421

Inchi
InChI=1S/C10H13NO.ClH/c11-5-3-8-1-2-10-9(7-8)4-6-12-10;/h1-2,7H,3-6,11H2;1H
InChkey
XAFHIYKUBJXDCL-UHFFFAOYSA-N
Canonical Smiles
C1COC2=C1C=C(C=C2)CCN.Cl
Computational chemical data
  • Molecular Weight:199.678g/mol
  • Molecular Formula:C10H14ClNO
  • Compound Is Canonicalized:True
  • Exact Mass:199.076
  • Monoisotopic Mass:199.076
  • Complexity:149
  • Rotatable Bond Count:2
  • 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:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByIAAEAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBAAAAHgAQAAAADAThmAYwBoBABACA AiBCAAACCAAgIAAIiIAGCIgMJiKEsRuCOCCk0BEIqAeQwPAOIAACAAAIAABAAAQAABAAAAAAAAAA AA==
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