Nicotinamide-N-oxide Structure

Nicotinamide-N-oxide

Chemical Properties

Melting point 291-293 °C (dec.)(lit.)
Boiling point 253.51°C (rough estimate)
Density  1.3471 (rough estimate)
refractive index  1.5100 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form  Solid
pka 14.38±0.50(Predicted)
color  White to Off-White
Sensitive  Hygroscopic
Major Application pharmaceutical small molecule
InChI 1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)
InChIKey USSFUVKEHXDAPM-UHFFFAOYSA-N
SMILES NC(=O)c1ccc[n+]([O-])c1
CAS DataBase Reference 1986-81-8(CAS DataBase Reference)
FDA UNII 6UY6QXJ2DP
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
1 0

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