UCSF

ZINC00409233

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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) 1.30 5.07 -8.98 0 2 0 17 118.139 0
Mid Mid (pH 6-8) 1.30 5.56 -27.08 1 2 1 19 119.147 0

Vendor Notes

Note Type Comments Provided By
BP 103°/1mm Matrix Scientific
MP 205 - 208 Enamine Building Blocks
MP 205...208 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
BP [°C] 97 - 98 Acros Organics
Purity 97% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/eye protection/face pro Acros Organics
PUBCHEM_PATENT_ID US4788185; US4864022; US4921851; US4962100; US4980464; US5409919 IBM Patent Data

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