Formula |
C19H16N4O3 |
IUPAC Name |
4-[(2-amino-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl-prop-2-ynyl-amino]benzoic acid |
Molecular Mass |
348.355 g·mol−1 |
Heat of Formation |
3.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.32 ± 1.08 D |
Volume |
369.04 Å 3 |
Surface Area |
308.81 Å 2 |
HOMO Energy |
-8.72 ± 0.55 eV |
LUMO Energy |
2.29 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl-propargyl-amino]benzoic acid
- 4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoic acid
- benzoic acid, 4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-
- ici m247496
- ici-m247496
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CAS Number(s) |
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InChIKey |
UZTMEKSOOJWLIX-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
N
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