Formula |
C15H15NO3 |
IUPAC Name |
[5-(2-aminoethyl)-2-hydroxy-phenyl] benzoate |
Molecular Mass |
257.284 g·mol−1 |
Heat of Formation |
-311.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.97 ± 1.08 D |
Volume |
311.62 Å 3 |
Surface Area |
290.84 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
-0.55 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-benzoyl dopamine
- [5-(2-aminoethyl)-2-hydroxyphenyl] benzoate
- benzoic acid [5-(2-aminoethyl)-2-hydroxy-phenyl] ester
- benzoic acid [5-(2-aminoethyl)-2-hydroxyphenyl] ester
- dopamine 3-benzoyl ester
- mbda
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CAS Number(s) |
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InChIKey |
WQJBDEHULKUMKX-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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