UCSF

ZINC01482107

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) 1.51 4.19 -4.85 0 1 0 17 100.161 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 84 Acros Organics
Melting_Point 84? Alfa-Aesar
Melting_Point 84° Alfa-Aesar
BP 116 TCI
Boiling_Point 117-118? Alfa-Aesar
Boiling_Point 117-118° Alfa-Aesar
BP [°C] 117.4 Acros Organics
Purity 99% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H332: Harmful if inhaled; H225: Highly flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P3 Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20: Harmful by inhalation.; R36/37: Irritating to eyes and respiratory system.; R66: Repeated exposure may cause skin dryness or cracking. 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. Acros Organics

Activity (Go SEA)

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