UCSF

ZINC01648286

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) 0.87 3.91 -4.45 0 3 0 36 146.186 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 100? Alfa-Aesar
Melting_Point 100° Alfa-Aesar
Mp [°C] 75 Acros Organics
Boiling_Point 169-171? Alfa-Aesar
Boiling_Point 169-171° Alfa-Aesar
BP [°C] 170 Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P210: Keep away from heat Acros Organics
R phrase R36: Irritating to eyes. Acros Organics
S phrase S25: Avoid contact with eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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