UCSF

ZINC01680406

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) 4.01 7.85 -4.92 0 2 0 26 184.279 8

Vendor Notes

Note Type Comments Provided By
Mp [°C] 90 Acros Organics
Melting_Point 90? Alfa-Aesar
Melting_Point 90° Alfa-Aesar
Boiling_Point 130?/50mm Alfa-Aesar
Boiling_Point 130°/50mm Alfa-Aesar
BP 215 TCI
BP [°C] 215 - 219 Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H317: May cause an allergic skin reaction Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
R phrase R37/38: Irritating to respiratory system and skin. Acros Organics
R phrase R37/38: Irritating to respiratory system and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; S46: If swallowed, seek medical advice immediately and show this container or label. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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