UCSF

ZINC00085239

Annotations

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) 1.81 2.73 -3.14 3 2 0 38 142.589 1

Vendor Notes

Note Type Comments Provided By
Purity 97% APIChem
Mp [°C] 186 - 188 Acros Organics
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Melting_Point ca 201? dec. Alfa-Aesar
Melting_Point ca 201° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0601155A1; US5482920; WO1993025540A1 IBM Patent Data
H phrase H400: Very toxic to aquatic life Acros Organics
H phrase H400: Very toxic to aquatic life; H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled Acros Organics
Warnings IRRITANT Matrix Scientific
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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P273: Avoid release to the environment; P270: Do not eat, drink or smoke when using this product; P304 + P340: IF Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R50: Very toxic to aquatic organisms. Acros Organics
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.