3-(1,3-Benzothiazol-2-Yl)-D-Alanine

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Properties Simple | Detailed

Formula C10H10N2O2S
IUPAC Name (2r)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid
Molecular Mass 222.264 g·mol−1
Heat of Formation -184.7 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 252.07 Å 3
Surface Area 233.4 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid
  • (2r)-2-amino-3-(1,3-benzothiazol-2-yl)propionic acid
  • (r)-alpha-amino-2-benzothiazolepropanoic acid
  • 2-benzothiazolepropanoic acid, alpha-amino-, (r)-
  • 3-(2-benzothiazolyl)alanine
  • 3-btal
CAS Number(s)
  • 81440-41-7
InChIKey DNDVHMGBCGSRIY-ZCFIWIBFSA-N
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