UCSF

ZINC01586314

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) 2.33 2.51 -4.97 0 2 0 26 130.187 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 100? Alfa-Aesar
Melting_Point 100° Alfa-Aesar
Mp [°C] 70.8 Acros Organics
Boiling_Point 142? Alfa-Aesar
Boiling_Point 142° Alfa-Aesar
BP 148 TCI
BP [°C] 149 Acros Organics
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H226: Flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R66: Repeated exposure may cause skin dryness or cracking. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S25: Avoid contact with eyes. Acros Organics

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