N~3~-(2-Sulfanylethyl)-β-Alaninamide

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Properties Simple | Detailed

Formula C5H12N2OS
IUPAC Name 3-(2-sulfanylethylamino)propanamide
Molecular Mass 148.227 g·mol−1
Heat of Formation -215.4 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 188.85 Å 3
Surface Area 196.33 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-mercaptoethylamino)propanamide
  • 3-(2-mercaptoethylamino)propionamide
  • beta-mercaptoethylaminopropionamide toluenesulfonic acid
  • propanamide, 3-((2-mercaptoethyl)amino)-, 4-methylbenzenesulfonate (salt)
  • wr-2529
InChIKey NJEUWMNDELODJE-UHFFFAOYSA-N
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