(3S)-3,7-Diamino-1-Chloro-2-Heptanone

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Properties Simple | Detailed

Formula C7H15ClN2O
IUPAC Name (3s)-3,7-diamino-1-chloro-heptan-2-one
Molecular Mass 178.660 g·mol−1
Heat of Formation -261.5 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 225.34 Å 3
Surface Area 216.02 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3,7-diamino-1-chloro-heptan-2-one
  • 1-chloro-3,7-diaminoheptan-2-one
  • 2-heptanone, 3,7-diamino-1-chloro-, (s)-
  • lysine chloromethyl ketone
CAS Number(s)
  • 26995-77-7
InChIKey PDBIHKPGRQQIEC-LURJTMIESA-N
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Elements H C N O Cl