UCSF

ZINC00404411

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) 2.29 0.28 -5.06 2 2 0 40 138.166 1
Hi High (pH 8-9.5) 0.81 4.12 -43.71 0 2 -1 40 137.158 1

Vendor Notes

Note Type Comments Provided By
BP 155 / 10 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95 - 98 Enamine Building Blocks
Mp [°C] 95 - 99 Acros Organics
Purity 95% Fluorochem
MP 95-98 °C(lit.) Indofine
Melting_Point 95-98? Alfa-Aesar
MP 95-98o C Indofine
Melting_Point 95-98° Alfa-Aesar
MP 95...98 Enamine Building Blocks
MP 98 TCI
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
SOLUBILITY Soluble in Methanol Indofine
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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