UCSF

ZINC02141003

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) 1.69 3.08 -3.07 0 1 0 13 146.971 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 102-104? Alfa-Aesar
Boiling_Point 102-104° Alfa-Aesar
BP [°C] 103 (p=750 torr) Acros Organics
BP 103° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0206251A1; EP0373836A1; EP0373836B1; EP0375387A2; EP0492178A2; EP0492178B1; EP0663401A1; EP0663401B1; EP0745597A2; EP0745597A3; EP0846686A1; US3974275; US3996234; US4031104; US4038399; US4053466; US4147693; US4199572; US4332952; US4381308; US4423233; US IBM Patent Data
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XI: Irritant Acros Organics
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H225: Highly flammable liquid and vapor Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics

Activity (Go SEA)

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

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