3-[(Diaminomethylene)Amino]-L-Alanine

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Properties Simple | Detailed

Formula C4H10N4O2
IUPAC Name (2s)-2-amino-3-guanidino-propanoic acid
Molecular Mass 146.148 g·mol−1
Heat of Formation -309.9 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 176.16 Å 3
Surface Area 180.09 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(diaminomethylideneamino)propanoic acid
  • (2s)-2-amino-3-guanidino-propanoic acid
  • (2s)-2-amino-3-guanidino-propionic acid
  • (2s)-2-amino-3-guanidinopropanoic acid
  • 3-((aminoiminomethyl)amino)alanine
  • alpha-amino-beta-guanidinopropionic acid
  • amino-guanidinopropionate
CAS Number(s)
  • 2462-51-3
InChIKey XNBJHKABANTVCP-REOHCLBHSA-N
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