UCSF

ZINC00001291

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) 2.08 6.93 -8.5 0 2 0 20 191.274 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 110-112?/1mm Alfa-Aesar
Boiling_Point 110-112°/1mm Alfa-Aesar
BP [°C] 111 (p=1 torr) Acros Organics
BP 160 / 19 TCI
Purity 97% APIChem
Solubility: Chloroform, DMSO Toronto Research Chemicals
Solubility: Chloroform, Methanol Toronto Research Chemicals
H phrase H315: Causes skin irritation Acros Organics
Therapy insect repellant SMDC Pharmakon
P phrase P273: Avoid release to the environment Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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