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518-17-2

Name Evodiamine
CAS 518-17-2
EINECS(EC#) 637-111-4
Molecular Formula C19H17N3O
MDL Number MFCD06407824
Molecular Weight 303.36
MOL File 518-17-2.mol

Chemical Properties

Melting point  278°
alpha  D15 +352° (acetone); D +440° (chloroform)
Boiling point  444.29°C (rough estimate)
density  1.1684 (rough estimate)
refractive index  1.5900 (estimate)
storage temp.  2-8°C
solubility  Soluble in DMSO (up to 5 mg/ml).
form  Off-white to light yellow solid.
pka 17.27±0.20(Predicted)
color  Yellow
Odor Odorless
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 2 months.
Major Application food and beverages
InChI 1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
InChIKey TXDUTHBFYKGSAH-UHFFFAOYSA-N
SMILES [H][C@@]1(N(C)C2=C3C=CC=C2)C4=C(C(C=CC=C5)=C5N4)CCN1C3=O
LogP 3.888 (est)
CAS DataBase Reference 518-17-2(CAS DataBase Reference)

Safety Data

Hazard Codes  T
Risk Statements 
R25:Toxic if swallowed.
Safety Statements 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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