4-Acetamido-3-Carbamimidamidobenzoic Acid

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Properties Simple | Detailed

Formula C10H12N4O3
IUPAC Name 4-acetamido-3-guanidino-benzoic acid
Molecular Mass 236.227 g·mol−1
Heat of Formation -432.3 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 268.59 Å 3
Surface Area 255.45 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(acetylamino)-3-guanidinobenzoic acid
  • 4-acetamido-3-(diaminomethylideneamino)benzoic acid
  • 4-acetamido-3-guanidinobenzoic acid
  • bana 113
  • bana-113
  • bcx-140
  • benzoic acid, 4-(acetylamino)-3-[(diaminomethylene)amino]-
InChIKey UDQJOWCVSMIZJP-UHFFFAOYSA-N
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