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) 3.83 1.27 -4.59 0 0 0 0 166.223 0

Vendor Notes

Note Type Comments Provided By
MP 111-114° Oakwood Chemical
Mp [°C] 112 - 116 Acros Organics
Melting_Point 113-117? Alfa-Aesar
Melting_Point 113-117° Alfa-Aesar
MP 115 TCI
mp 115 - 117 MolMall (formerly Molecular Diversity Preservation International)
MP 115 - 118 Enamine Building Blocks
MP 115...118 Enamine Building Blocks
Boiling_Point 295? Alfa-Aesar
Boiling_Point 295° Alfa-Aesar
BP [°C] 298 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem
Patent Database Links EP0780363; EP0826675; EP0893442; EP0933354; EP0957098; EP0976703; EP1215192; EP1221434; EP1260498; EP1357103; EP1400578; EP1457548; EP1598067; EP1607392; EP1621598; EP1623970; EP1666970; EP1685836; EP1690847; EP1691586; EP1728784; EP1752440; EP1780191; EP ChEBI
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
Hazard N: Dangerous for the environment Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
R phrase R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S60: This material and its container must be disposed of as hazardous waste. Acros Organics
S phrase S60: This material and its container must be disposed of as hazardous waste.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
UniProt Database Links ST1C1_MOUSE; ST1C2_HUMAN; ST1C4_HUMAN ChEBI

Activity (Go SEA)

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