N-(Diaminomethylene)-L-Histidine

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Properties Simple | Detailed

Formula C7H11N5O2
IUPAC Name (2s)-2-guanidino-3-(1h-imidazol-5-yl)propanoic acid
Molecular Mass 197.195 g·mol−1
Heat of Formation -197.0 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 227.23 Å 3
Surface Area 219.72 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(diaminomethylideneamino)-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-guanidino-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-guanidino-3-(3h-imidazol-4-yl)propionic acid
  • 1-guanidino-2-(4-imidazole)propionic acid
  • gipa
CAS Number(s)
  • 114460-37-6
InChIKey HZLZMXYBDRVYRP-YFKPBYRVSA-N
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