Formula |
C18H27N2O4+ |
IUPAC Name |
5-[4-[2-(1-oxidopiperidin-1-ium-1-yl)ethyl]anilino]-5-oxo-pentanoic acid |
Molecular Mass |
335.418 g·mol−1 |
Heat of Formation |
-578.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.46 ± 1.08 D |
Volume |
414.6 Å 3 |
Surface Area |
377.28 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
2.99 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[[4-[2-(1-hydroxy-1-piperidin-1-iumyl)ethyl]phenyl]amino]-5-oxopentanoic acid
- 5-[[4-[2-(1-hydroxypiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-keto-valeric acid
- 5-[[4-[2-(1-hydroxypiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxo-pentanoic acid
- 5-[[4-[2-(1-hydroxypiperidin-1-ium-1-yl)ethyl]phenyl]amino]-5-oxopentanoic acid
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InChIKey |
ZDAINQVJDUEMCD-UHFFFAOYSA-O |
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Links |
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Downloads |
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Elements |
H
C
O
N
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