UCSF

ZINC06920427

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 9.31 18.78 -33.92 1 1 1 4 354.687 21

Vendor Notes

Note Type Comments Provided By
Mp [°C] 34 Acros Organics
Melting_Point 39? Alfa-Aesar
Melting_Point 39° Alfa-Aesar
Boiling_Point 164-168?/0.7mm Alfa-Aesar
Boiling_Point 164-168°/0.7mm Alfa-Aesar
BP [°C] 365 - 367 Acros Organics
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H411: Toxic to aquatic life with long lasting effects Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
R phrase R36/38: Irritating to eyes and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )