4-{[(Diaminomethylene)Amino]Methyl}-L-Phenylalanine

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Properties Simple | Detailed

Formula C11H16N4O2
IUPAC Name (2s)-2-amino-3-[4-(guanidinomethyl)phenyl]propanoic acid
Molecular Mass 236.270 g·mol−1
Heat of Formation -234.3 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 292.16 Å 3
Surface Area 272.35 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 3.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-(guanidinomethyl)phenyl]propanoic acid
  • (2s)-2-amino-3-[4-(guanidinomethyl)phenyl]propionic acid
  • (2s)-2-amino-3-[4-[(diaminomethylideneamino)methyl]phenyl]propanoic acid
  • 4-guanidino-methylphenylalanine
  • alanine, 3-(alpha-guanidino-p-tolyl)-
  • para-guanidino-methylphenylalanine
  • phenylalanine, 4-(((aminoiminomethyl)amino)methyl)-
CAS Number(s)
  • 1991-97-5
InChIKey OSPFMSZZQUXLEB-VIFPVBQESA-N
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