UCSF

ZINC08585904

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) 2.68 4.52 -1.24 0 0 0 0 167.85 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 43 Acros Organics
Melting_Point 43? Alfa-Aesar
Melting_Point 43° Alfa-Aesar
Melting_Point 44? Alfa-Aesar
Melting_Point 44° Alfa-Aesar
Boiling_Point 142-146? Alfa-Aesar
Boiling_Point 142-146° Alfa-Aesar
BP [°C] 146 Acros Organics
BP [°C] 147 Acros Organics
Boiling_Point 147? Alfa-Aesar
Boiling_Point 147° Alfa-Aesar
Patent Database Links EP1113012; EP1818336; EP1916241; EP1923473; US2003236415; US2006142353; US2007032550; US2008039643; WO2006003672; WO2007136439 ChEBI
H phrase H330: Fatal if inhaled Acros Organics
H phrase H330: Fatal if inhaled; H310: Fatal in contact with skin; H411: Toxic to aquatic life with long lasting effects Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P361: Remove/Take off immediately all contaminated clothing; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P310: Immediately call a POISON CENTER or doc Acros Organics
R phrase R26/27: Very toxic by inhalation and in contact with skin. Acros Organics
R phrase R26/27: Very toxic by inhalation and in contact with skin.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S38: In case of insufficient ventilation, wear suitable respiratory equipment. Acros Organics
S phrase S38: In case of insufficient ventilation, wear suitable respiratory equipment.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instr Acros Organics
Hazard T+: Very toxic Acros Organics
Hazard T+: Very toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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