UCSF

ZINC00056456

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) 3.60 8.51 -9.21 0 3 0 24 268.36 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 171 - 176 Acros Organics
MP 174 TCI
MP 174 - 176 Enamine Building Blocks
Melting_Point 174-176? Alfa-Aesar
Melting_Point 174-176° Alfa-Aesar
MP 174...176 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP [°C] >360 Acros Organics
Boiling_Point >360? Alfa-Aesar
Boiling_Point >360° Alfa-Aesar
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H341: Suspected of causing genetic defects; H350: May cause cancer Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P28 Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R41: Risk of serious damage to eyes.; R68: Possible risks of irreversible effects. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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