4098-40-2

Name MITRAGYNINE PICRATE
CAS 4098-40-2
EINECS(EC#) 200-659-6
Molecular Formula C29H33N5O11
MDL Number MFCD00189432
Molecular Weight 627.6
MOL File 4098-40-2.mol

Chemical Properties

Melting point  92-95°C
alpha  D +39° (chloroform)
Boiling point  bp5 230-240°
density  1.22±0.1 g/cm3 (20 ºC 760 Torr)
Fp  9℃
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 18.35±0.60(Predicted)
color  Light Orange to Dark Beige to Very Dark Yellow
InChIKey LELBFTMXCIIKKX-QVRQZEMUSA-N
SMILES C(OC)(=O)/C(/[C@H]1C[C@@]2([H])C3NC4=C(C=3CCN2C[C@H]1CC)C(OC)=CC=C4)=C/OC

Safety Data

Symbol(GHS)  Flame (GHS02)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS02,GHS06,GHS08
Signal word  Danger
Hazard statements  H225-H301+H311+H331-H370
Precautionary statements  P210-P260-P280-P301+P310-P311
Hazard Codes  F,T
Risk Statements 
Safety Statements 
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  1
HS Code  29339900
Hazardous Substances Data 4098-40-2(Hazardous Substances Data)

Hazard Information