Homocitrulline

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Properties Simple | Detailed

Formula C7H16N3O3+
IUPAC Name (2s)-2-azaniumyl-6-ureido-hexanoate
Molecular Mass 190.220 g·mol−1
Heat of Formation -564.4 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 232.59 Å 3
Surface Area 224.36 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-ammonio-6-ureido-hexanoate
  • (2s)-2-ammonio-6-ureidohexanoate
  • (2s)-2-azaniumyl-6-(carbamoylamino)hexanoate
  • (2s)-2-azaniumyl-6-ureido-hexanoate
  • (2s)-6-(aminocarbonylamino)-2-azaniumyl-hexanoate
CAS Number(s)
  • 1190-49-4
InChIKey XIGSAGMEBXLVJJ-YFKPBYRVSA-N
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