Formula |
C20H37NO3 |
IUPAC Name |
[(1r)-2-(diethylamino)-1-methyl-ethyl] (1r,2r)-2-cyclohexyl-2-hydroxy-cyclohexanecarboxylate |
Molecular Mass |
339.513 g·mol−1 |
Heat of Formation |
-824.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.39 ± 1.08 D |
Volume |
458.48 Å 3 |
Surface Area |
349.22 Å 2 |
HOMO Energy |
-8.69 ± 0.55 eV |
LUMO Energy |
1.56 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (1r,2r)-2-cyclohexyl-2-hydroxy-1-cyclohexanecarboxylic acid [(1r)-2-diethylamino-1-methylethyl] ester
- (1r,2r)-2-cyclohexyl-2-hydroxy-cyclohexane-1-carboxylic acid [(1r)-2-diethylamino-1-methyl-ethyl] ester
- [(1r)-2-diethylamino-1-methyl-ethyl] (1r,2r)-2-cyclohexyl-2-hydroxy-cyclohexane-1-carboxylate
- [(2r)-1-diethylaminopropan-2-yl] (1r,2r)-2-cyclohexyl-2-hydroxy-cyclohexane-1-carboxylate
- [(2r)-1-diethylaminopropan-2-yl] (1r,2r)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate
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InChIKey |
XPYLKZZOBVLVHB-IMFGXOCKSA-N |
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Links |
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Elements |
H
C
O
N
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