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Inositol nicotinate  Structure

Inositol nicotinate

Chemical Properties

Melting point 254-256 °C(lit.)
Boiling point 755.54°C (rough estimate)
Density  1.3348 (rough estimate)
refractive index  1.6400 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  Aqueous Acid (Slightly, Heated), DMSO (Slightly, Heated, Sonicated)
form  Solid
pka 3.92±0.10(Predicted)
color  White to Off-White
Merck  13,5002
InChIKey MFZCIDXOLLEMOO-GYSGTQPESA-N
SMILES [C@@H]1(OC(C2=CC=CN=C2)=O)[C@@H](OC(C2=CC=CN=C2)=O)[C@H](OC(C2=CC=CN=C2)=O)[C@@H](OC(C2=CC=CN=C2)=O)[C@H](OC(C2=CC=CN=C2)=O)[C@@H]1OC(C1=CC=CN=C1)=O
LogP 3.945 (est)
CAS DataBase Reference 6556-11-2(CAS DataBase Reference)
FDA UNII A99MK953KZ
ATC code C04AC03
EPA Substance Registry System Inositol nicotinate (6556-11-2)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H319-H335-H315
Precautionary statements P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  2
RTECS  NM7535400

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Inositol nicotinate Chemical Properties,Usage,Production

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