UCSF

ZINC01693941

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) 1.03 4.34 -4.84 0 1 0 17 110.156 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 168 - 172 Acros Organics
Boiling_Point 172-174? Alfa-Aesar
Boiling_Point 172-174° Alfa-Aesar
BP 55 / 2 TCI
Mp [°C] 88 - 91 Acros Organics
Melting_Point 92-97? Alfa-Aesar
Melting_Point 92-97° Alfa-Aesar
MP 95 TCI
Hazard F: Highly flammable Acros Organics
H phrase H228: Flammable solid Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R11: Highly flammable. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics
S phrase S9: Keep container in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S33: Take precautionary measures against static discharges. Acros Organics

Activity (Go SEA)

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