3-[(Chloroacetyl)Amino]-L-Alanine

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Properties Simple | Detailed

Formula C5H9ClN2O3
IUPAC Name (2s)-2-amino-3-[(2-chloroacetyl)amino]propanoic acid
Molecular Mass 180.590 g·mol−1
Heat of Formation -617.1 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 196.42 Å 3
Surface Area 189.49 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(2-chloroethanoylamino)propanoic acid
  • (2s)-2-amino-3-[(2-chloro-1-oxoethyl)amino]propanoic acid
  • (2s)-2-amino-3-[(2-chloroacetyl)amino]propanoic acid
  • (2s)-2-amino-3-[(2-chloroacetyl)amino]propionic acid
  • cadpa
  • n(3)-(chloroacetyl)-2,3-diaminopropanoic acid
  • n(3)-chloroacetyl-2,3-diaminopropanoic acid
CAS Number(s)
  • 135630-95-4
InChIKey FOJRYNHRKWPSMC-VKHMYHEASA-N
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Elements H C N O Cl