4-(Methoxycarbonyl)Phenyl 4-[(Diaminomethylene)Amino]Benzoate

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Properties Simple | Detailed

Formula C16H15N3O4
IUPAC Name (4-methoxycarbonylphenyl) 4-guanidinobenzoate
Molecular Mass 313.308 g·mol−1
Heat of Formation -422.2 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 357.23 Å 3
Surface Area 337.25 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (4-methoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate
  • 4'-carbomethoxyphenyl 4-guanidinobenzoate
  • 4'-cmgb
  • 4-guanidinobenzoic acid (4-carbomethoxyphenyl) ester
  • 4-guanidinobenzoic acid (4-methoxycarbonylphenyl) ester
  • benzoic acid, 4-((aminoimimomethyl)amino)-, 4-(methoxycarbonyl)phenyl ester
InChIKey NIBWPUGZCXNNPC-UHFFFAOYSA-N
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