N-[(2-Chloroethyl)(Nitroso)Carbamoyl]-L-Alanine

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Properties Simple | Detailed

Formula C6H10ClN3O4
IUPAC Name (2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid
Molecular Mass 223.614 g·mol−1
Heat of Formation -607.0 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 242.65 Å 3
Surface Area 236.56 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid
  • (2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propionic acid
  • (2s)-2-[(2-chloroethyl-nitrosocarbamoyl)amino]propanoic acid
  • (2s)-2-[[(2-chloroethyl-nitrosoamino)-oxomethyl]amino]propanoic acid
InChIKey ORNLZEDGUXUSMV-BYPYZUCNSA-N
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Elements H C N O Cl