CIMBUTEROL Structure

CIMBUTEROL

Chemical Properties

Melting point 189-191°C
Boiling point 438.7±45.0 °C(Predicted)
Density  1.12±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Dichloromethane (Slightly, Heated), Methanol (Slightly, Heated, Sonicated)
form  Solid
pka 13.77±0.20(Predicted)
color  White to Pale Yellow
Major Application forensics and toxicology
pharmaceutical (small molecule)
veterinary
InChI 1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3
InChIKey YKKQAXQGZIBJFS-UHFFFAOYSA-N
SMILES CC(C)(C)NCC(O)c1ccc(N)c(c1)C#N
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26
WGK Germany  3
HS Code  29221990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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