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) 0.67 6.23 -13.23 0 5 0 70 216.233 8

Vendor Notes

Note Type Comments Provided By
Mp [°C] 8 Acros Organics
Melting_Point 8? Alfa-Aesar
Melting_Point Alfa-Aesar
BP [°C] 180 - 183 (p=50 torr) Acros Organics
Boiling_Point 180-183?/50mm Alfa-Aesar
Boiling_Point 180-183°/50mm Alfa-Aesar
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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