UCSF

ZINC01680865

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) 1.74 6.38 -33.63 1 1 1 4 136.218 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 75 Acros Organics
Melting_Point 75? Alfa-Aesar
Melting_Point 75° Alfa-Aesar
BP 180 TCI
BP [°C] 183 - 184 Acros Organics
Boiling_Point 183-184? Alfa-Aesar
Boiling_Point 183-184° Alfa-Aesar
Purity 98% APIChem
Hazard C: Corrosive Acros Organics
H phrase H311: Toxic in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H302: Harmful if swallowed; H331: Toxic if inhaled; H314: Causes severe skin burns and eye damage; H412: Harmful to aquatic life with long lasting effects; H226: Flammable liquid and vapor 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; P310: Immediately call a POISON CENTER or doctor/physician; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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: Wear suitable protective clothing.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics

Activity (Go SEA)

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