(2S)-2-({[2-(4-Hydroxyphenyl)Ethyl]Amino}Methyl)-3,4-Dihydro-1(2H)-Naphthalenone

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Properties Simple | Detailed

Formula C19H21NO2
IUPAC Name (2s)-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]tetralin-1-one
Molecular Mass 295.376 g·mol−1
Heat of Formation -196.7 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 369.26 Å 3
Surface Area 339.56 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-1-tetralinone
  • (2s)-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2h-naphthalen-1-one
  • (2s)-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]tetralin-1-one
  • tocris-0535
InChIKey PZZOEXPDTYIBPI-INIZCTEOSA-N
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