UCSF

ZINC08398603

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) 8.51 3.41 0.25 1 0 0 0 268.529 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 32 - 34 Acros Organics
Melting_Point 32-34? Alfa-Aesar
Melting_Point 32-34° Alfa-Aesar
BP [°C] 330 Acros Organics
Boiling_Point 330-331? Alfa-Aesar
Boiling_Point 330-331° Alfa-Aesar
Patent Database Links EP1180516; EP1666476; WO2007106049 ChEBI
H phrase H304: May be fatal if swallowed and enters airways Acros Organics
H phrase H304: May be fatal if swallowed and enters airways; EUH066: Repeated exposure may cause skin dryness or cracking Acros Organics
P phrase P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician Acros Organics
P phrase P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting Acros Organics
R phrase R65: Harmful: may cause lung damage if swallowed. Acros Organics
R phrase R65: Harmful: may cause lung damage if swallowed.; R66: Repeated exposure may cause skin dryness or cracking. Acros Organics
S phrase S62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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