CAS: | 138112-76-2 |
MF: | C15H17NO2 |
MW: | 243.3 |
EINECS: | 629-727-7 |
Product Categories: | APIS;Aromatics Compounds;Aromatics;Neurochemicals;API;Agomelatine;Valdoxan, Melitor, Thymanax;138112-76-2 |
Mol File: | 138112-76-2.mol |
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AGOMELATINE Chemical Properties |
Melting point | 107-109°C |
Boiling point | 478.8±28.0 °C(Predicted) |
density | 1.109±0.06 g/cm3(Predicted) |
storage temp. | 2-8°C |
solubility | DMSO: >50mg/mL |
form | powder |
pka | 16.17±0.46(Predicted) |
color | white to off-white |
Merck | 14,190 |
InChI | InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) |
InChIKey | YJYPHIXNFHFHND-UHFFFAOYSA-N |
SMILES | C(NCCC1=C2C(C=CC(OC)=C2)=CC=C1)(=O)C |
CAS DataBase Reference | 138112-76-2(CAS DataBase Reference) |
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