UCSF

ZINC01706164

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) 3.51 6.01 -2.03 0 0 0 0 180.556 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 36 Acros Organics
MP 36 - -34 Enamine Building Blocks
MP 36 - -36 Enamine Building Blocks
Melting_Point 36? Alfa-Aesar
MP 36° Oakwood Chemical
MP 37 - -36 Enamine Building Blocks
MP 38 - -36 Enamine Building Blocks
MP 38...-36 Enamine Building Blocks
BP [°C] 136 - 138 Acros Organics
Boiling_Point 136-138? Alfa-Aesar
BP 136-138° Oakwood Chemical
BP 140 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity 99% APIChem
Purity 99.8% Fluorochem
H phrase H226: Flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H310: Fatal in contact with skin 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P261: Avoid breathing dus Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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