UCSF

ZINC01693397

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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) 1.77 2.89 -8.29 0 3 0 36 166.176 3

Vendor Notes

Note Type Comments Provided By
BP [°C] 146 (p=10 torr) Acros Organics
Boiling_Point 146?/10mm Alfa-Aesar
Boiling_Point 146°/10mm Alfa-Aesar
BP 270 TCI
Mp [°C] 45 - 50 Acros Organics
MP 46-48 °C(lit.) Indofine
Melting_Point 47-51? Alfa-Aesar
Melting_Point 47-51° Alfa-Aesar
MP 49 - 52 Enamine Building Blocks
MP 49-52o C Indofine
MP 49...52 Enamine Building Blocks
MP 50 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 99% APIChem
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation 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 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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