(3R)-7-(2-Aminoethyl)-5-Hydroxy-3,4-Dihydro-2H-1,4-Benzothiazine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H14N2O3S
IUPAC Name (3r)-7-(2-aminoethyl)-5-hydroxy-3,4-dihydro-2h-1,4-benzothiazine-3-carboxylic acid
Molecular Mass 254.305 g·mol−1
Heat of Formation -439.0 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 286.91 Å 3
Surface Area 266.33 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-benzothiazine-3-carboxylic acid, 3,4-dihydro-7-(2-aminoethyl)-5-hydroxy-, (r)-
  • 3,4-dihydro-7-(2-aminoethyl)-5-hydroxy-2h-1,4-benzothiazine-3-carboxylic acid (r)-
  • 7-(2-aminoethyl)-3,4-dihydro-5-hydroxy-2h-1,4-benzothiazine-3-carboxylic acid
CAS Number(s)
  • 153881-25-5
InChIKey HZALHIJVRHAZKE-ZETCQYMHSA-N
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