543906-09-8

Name (3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester
CAS 543906-09-8
Molecular Formula C19H23NO3
Molecular Weight 313.39
MOL File 543906-09-8.mol
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Chemical Properties

Melting point  119 - 121°C
Boiling point  476.3±45.0 °C(Predicted)
density  1.21
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 12.75±0.20(Predicted)
color  White to Off-White
InChI InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
InChIKey ZFPZEYHRWGMJCV-ZHALLVOQSA-N
SMILES N1(C(OC)=O)[C@@]2([H])[C@]([H])([C@](O)(C#CC3=CC=CC(C)=C3)CCC2)CC1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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