UCSF

ZINC19015383

Annotations

Vendors

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) 0.74 1.02 -5.39 2 2 0 39 128.562 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 153?/5mm Alfa-Aesar
Boiling_Point 153°/5mm Alfa-Aesar
MP 86 - 88 Enamine Building Blocks
MP 86...88 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 94 Enamine Building Blocks
MP 90-94° Matrix Scientific
Melting_Point 91-94? Alfa-Aesar
Melting_Point 91-94° Alfa-Aesar
MP 92 TCI
Mp [°C] 92 - 94 Acros Organics
MP 92-93° Oakwood Chemical
MP 92° Fluorochem
purity 95 Enamine Building Blocks
Purity 98% Matrix Scientific
Purity 98+% Fluorochem
H phrase H311: Toxic in contact with skin Acros Organics
H phrase H311: Toxic in contact with skin; H331: Toxic if inhaled; H319: Causes serious eye irritation; H301: Toxic if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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

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