UCSF

ZINC02031653

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) 0.96 0.95 -2.2 1 1 0 20 86.134 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 115 - 116 Acros Organics
Boiling_Point 115-116? Alfa-Aesar
Boiling_Point 115-116° Alfa-Aesar
BP 116 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P403 + P233: Store in a well-ventilated place. Keep container tightly closed; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. 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.