UCSF

ZINC01443041

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) 1.86 5.52 -8.46 0 1 0 17 150.152 0

Vendor Notes

Note Type Comments Provided By
MP 53-55° Matrix Scientific
Melting_Point 56-59? Alfa-Aesar
Melting_Point 56-59° Alfa-Aesar
MP 57 - 59 Enamine Building Blocks
MP 57...59 Enamine Building Blocks
Mp [°C] 58 - 61 Acros Organics
MP 60 TCI
Boiling_Point 60?/0.5mm Alfa-Aesar
BP 60°/0.5mm Matrix Scientific
MP 61-63° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation 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

Activity (Go SEA)

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