UCSF

ZINC02039437

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) 0.40 -0.16 -4.12 1 2 0 29 104.149 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 100 Acros Organics
Melting_Point 100? Alfa-Aesar
Melting_Point 100° Alfa-Aesar
MP 100 - 102 Enamine Building Blocks
MP 100...102 Enamine Building Blocks
BP [°C] 132 Acros Organics
Boiling_Point 132? Alfa-Aesar
Boiling_Point 132° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H336: May cause drowsiness or dizziness Acros Organics
H phrase H336: May cause drowsiness or dizziness; H226: Flammable liquid and vapor; H319: Causes serious eye irritation Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P305 + P351 + P33 Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R67: Vapours may cause drowsiness and dizziness. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics

Activity (Go SEA)

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