23495-64-9

Name 10-Methoxy-6-methylergoline-8β-carboxylic acid methyl ester
CAS 23495-64-9
EINECS(EC#) 607-239-5
Molecular Formula C18H22N2O3
Molecular Weight 314.39
MOL File 23495-64-9.mol
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Chemical Properties

Melting point  182-184 °C
Boiling point  466.6±45.0 °C(Predicted)
density  1.27±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 20℃
pka 16.82±0.60(Predicted)
Water Solubility  744mg/L at 20℃
InChI InChI=1/C18H22N2O3/c1-20-10-12(17(21)22-2)8-18(23-3)13-5-4-6-14-16(13)11(9-19-14)7-15(18)20/h4-6,9,12,15,19H,7-8,10H2,1-3H3/t12-,15-,18+/s3
InChIKey SCWPBCNOFOVVGZ-JXZGFAAWNA-N
SMILES O([C@]12C[C@@H](C(=O)OC)CN(C)[C@]1([H])CC1=CNC3=CC=CC2=C13)C |&1:1,3,11,r|
LogP 3.1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H332-H302-H312
Precautionary statements  P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
REACH Registrations Active

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