UCSF

ZINC03860653

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) 1.09 2.92 -7.57 3 5 0 84 153.141 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 89 - 94 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 92 Enamine Building Blocks
MP 90...92 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 96% APIChem
Purity 97% Fluorochem
Purity 98% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
Warnings Flammable Solid Matrix Scientific
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; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R5: Heating may cause an explosion. Acros Organics
R phrase R5: Heating may cause an explosion.; R11: Highly flammable.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.; S47: Keep at temperature not exceeding ... °C (to be specified by the manufacturer). Acros Organics

Activity (Go SEA)

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