UCSF

ZINC01532055

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Vendors

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) 2.26 5.14 -5.06 0 2 0 26 128.171 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 64 Acros Organics
Melting_Point 64? Alfa-Aesar
Melting_Point 64° Alfa-Aesar
BP [°C] 145 Acros Organics
Boiling_Point 145-146? Alfa-Aesar
Boiling_Point 145-146° Alfa-Aesar
Patent Database Links EP0845458; EP0870785; EP1167356; EP1518534; EP1535938; EP1541176; EP1547589; EP1561461; EP1634562; EP1639999; EP1647268; EP1657265; EP1849487; EP1950232; US2004015021; US2006110433; US2007190160; US2007212410; US2007254010; US2007264225; US2007269480; US2 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H317: May cause an allergic skin reaction; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H226: Flammable liquid and vapor; H332: Harmful if inhaled; H412: Harmful to aquatic life with long lasti 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; P273: Avoid release to the environment; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWA Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20: Harmful by inhalation.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics
Hazard XI: Irritant Acros Organics

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