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) 5.99 11.83 -9.62 0 0 0 0 252.316 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 276-280? Alfa-Aesar
Melting_Point 276-280° Alfa-Aesar
Mp [°C] 277 - 280 Acros Organics
MP 278 TCI
BP 400 TCI
Patent Database Links EP0805188; EP0805189; EP0807668; EP0826740; EP0861878; EP1010731; EP1020496; EP1182183; EP1380556; EP1437395; EP1564826; EP1671674; US2003175742; US2005037401; US2005043414; US2006078518; US2007248560; US2007254364; US2008241090; WO2005003132; WO200504973 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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