UCSF

ZINC01661081

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) 0.45 1.49 -5.14 0 2 0 26 94.117 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 29 Acros Organics
Melting_Point 30? Alfa-Aesar
Melting_Point 30° Alfa-Aesar
BP [°C] 134 - 137 Acros Organics
BP 135 TCI
Boiling_Point 135-136? Alfa-Aesar
Boiling_Point 135-136° Alfa-Aesar
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H226: Flammable liquid and vapor; H302: Harmful if swallowed Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P264: Wash face, hands and any exposed skin thoroughly after handling; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P403 + P233: Store in a Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.