(3S)-7-Amino-1-Chloro-3-[(2,4-Dinitrophenyl)Amino]-2-Heptanone

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Properties Simple | Detailed

Formula C13H17ClN4O5
IUPAC Name (3s)-7-amino-1-chloro-3-(2,4-dinitroanilino)heptan-2-one
Molecular Mass 344.751 g·mol−1
Heat of Formation -164.3 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 391.74 Å 3
Surface Area 352.44 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-7-amino-1-chloro-3-[(2,4-dinitrophenyl)amino]heptan-2-one
  • 2-heptanone, 7-amino-1-chloro-3-((2,4-dinitrophenyl)amino)-, (s)-
  • l-1-chloro-3-(2,4-dinitroanilino)-7-aminoheptan-2-one
  • n(alpha)-2,4-dinitrophenyllysine chloromethyl ketone
  • nalpha-2,4-dinitrophenyllysine chloromethyl ketone
CAS Number(s)
  • 50686-84-5
InChIKey UBFCPAHNUUBJDI-NSHDSACASA-N
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Elements H C N O Cl