UCSF

ZINC02242608

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) 2.77 2.08 -3.05 0 1 0 17 134.606 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 127 - 129 Acros Organics
Boiling_Point 128-130? Alfa-Aesar
Boiling_Point 128-130° Alfa-Aesar
BP 132 TCI
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H225: Highly flammable liquid and vapor; EUH029: Contact with water liberates toxic gas 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 R10: Flammable. Acros Organics
R phrase R10: Flammable.; R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protectio Acros Organics

Activity (Go SEA)

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