81409-74-7

Name 6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID
CAS 81409-74-7
Molecular Formula C18H20N2O2
MDL Number MFCD07368167
Molecular Weight 296.36
MOL File 81409-74-7.mol
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Chemical Properties

Melting point  >160oC(dec.)
Boiling point  530.4±50.0 °C(Predicted)
density  1.258
storage temp.  Amber Vial, -20°C Freezer
solubility  Dioxane (Sparingly), DMSO, Methanol (Sparingly)
form  Solid
pka 3.77±0.20(Predicted)
color  White to Light Beige to Pale Brown
InChI InChI=1/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12?,14-,16-/s3
InChIKey YAICYXFUKKMAKO-SSILCPKXNA-N
SMILES [C@]12([H])CC(C(O)=O)CN(CC=C)[C@]1([H])CC1=CNC3=CC=CC2=C13 |&1:0,12,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H302-H362
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P201-P260-P263-P264-P270-P308+P313-P264-P270-P301+P312-P330-P501

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