UCSF

ZINC00391827

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) 1.36 3.46 -3.82 0 3 0 28 148.202 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] 61 Acros Organics
Melting_Point 61? Alfa-Aesar
Melting_Point 61° Alfa-Aesar
MP 76° Oakwood Chemical
Boiling_Point 144-146? Alfa-Aesar
Boiling_Point 144-146° Alfa-Aesar
BP 145 TCI
BP [°C] 146 Acros Organics
BP 146° Oakwood Chemical
Purity 99% Fluorochem
PUBCHEM_PATENT_ID EP1060161A1 IBM Patent Data
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S39: Wear eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.