UCSF

ZINC08382264

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) 1.58 5.24 -6.2 0 3 0 43 152.149 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 97-103? Alfa-Aesar
Melting_Point 97-103° Alfa-Aesar
Mp [°C] 98 - 102 Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H317: May cause an allergic skin reaction; H412: Harmful to aquatic life with long lasting effects Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P261: Avoid breathing dust/fume/gas/mist/vapor Acros Organics
R phrase R41: Risk of serious damage to eyes. Acros Organics
R phrase R41: Risk of serious damage to eyes.; R42/43: May cause sensitisation by inhalation and skin contact.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S24: Avoid contact with skin.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.; S61: Avoid release to the environment. Ref Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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