UCSF

ZINC01666987

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) 1.18 3.26 -3.43 0 1 0 13 82.102 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 88.7 Acros Organics
Melting_Point 89? Alfa-Aesar
Melting_Point 89° Alfa-Aesar
mp 260 MolMall (formerly Molecular Diversity Preservation International)
BP 63 TCI
BP [°C] 63 - 66 Acros Organics
Boiling_Point 63-65? Alfa-Aesar
Boiling_Point 63-65° Alfa-Aesar
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; T: Toxic Acros Organics
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled; H225: Highly flammable liquid and vapor Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. 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.; S33: Take precautionary measures against static discharges.; S9: Keep container in a well-ventilated place. Acros Organics

Activity (Go SEA)

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

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