UCSF

ZINC15858174

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) 1.98 4.62 -4.56 0 1 0 13 121.183 0
Lo Low (pH 4.5-6) 1.98 4.86 -24.85 1 1 1 14 122.191 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 43 Acros Organics
Melting_Point 43? Alfa-Aesar
Melting_Point 43° Alfa-Aesar
Melting_Point 128-130? Alfa-Aesar
BP 171 TCI
BP [°C] 171 - 172 Acros Organics
Boiling_Point 171-172? Alfa-Aesar
Boiling_Point 171-172° Alfa-Aesar
M.P 82-83C Indofine
Purity 99% Fluorochem
H phrase H226: Flammable liquid and vapor; H311: Toxic in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
H phrase H315: Causes skin irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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