UCSF

ZINC01766635

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) 2.09 -0.14 -3.39 0 1 0 12 100.161 3

Vendor Notes

Note Type Comments Provided By
BP [°C] 118 - 120 Acros Organics
Boiling_Point 118-120? Alfa-Aesar
Boiling_Point 118-120° Alfa-Aesar
BP 120 TCI
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XI: Irritant Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H225: Highly flammable liquid and vapor; H335: May cause respiratory irritation Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics

Activity (Go SEA)

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