UCSF

ZINC01608906

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 4.28 -5.18 0 2 0 26 114.144 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 60? Alfa-Aesar
Melting_Point 60° Alfa-Aesar
Mp [°C] 75 Acros Organics
BP [°C] 118 - 119 Acros Organics
Boiling_Point 118-119? Alfa-Aesar
Boiling_Point 118-119° Alfa-Aesar
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XI: Irritant Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation; H317: May cause an allergic skin reaction; H225: Highly flammable liquid and vapor 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P3 Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics
S phrase S9: Keep container in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S29: Do not empty into drains.; S33: Take precautionary measures against static discharges. Acros Organics

Activity (Go SEA)

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