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]-
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InChIKey |
UDQJOWCVSMIZJP-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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