UCSF

ZINC00155422

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) -0.46 5.9 -8.21 0 5 0 53 162.152 0
Mid Mid (pH 6-8) -0.46 6.4 -41.66 1 5 1 54 163.16 0
Mid Mid (pH 6-8) -0.46 6.89 -98.39 2 5 2 55 164.168 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 116-120? Alfa-Aesar
Melting_Point 116-120° Alfa-Aesar
MP 117 - 122 Enamine Building Blocks
MP 117-122° Matrix Scientific
MP 117...122 Enamine Building Blocks
MP 118 TCI
Mp [°C] 118 - 120 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Fluorochem
Purity 98+% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Stored under Argon/Moisture Sensitive/Refrigerate Matrix Scientific
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed Acros Organics
Warnings MOISTURE SENSITIVE, KEEP COLD, CORROSIVE, STORED UNDER ARGON Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns. 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

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

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