UCSF

ZINC05641589

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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) 2.15 4.89 -28.39 3 2 1 40 177.252 1
Hi High (pH 8-9.5) 2.15 4.6 -37.17 1 2 -1 36 175.236 1
Mid Mid (pH 6-8) 2.15 4.54 -6.78 2 2 0 39 176.244 1

Vendor Notes

Note Type Comments Provided By
melting_point 143 - 145 KeyOrganics
Melting_Point 148-152? Alfa-Aesar
Melting_Point 148-152° Alfa-Aesar
MP 149-152° Matrix Scientific
Mp [°C] 150 - 152 Acros Organics
Melting_Point 180-183? Alfa-Aesar
Melting_Point 180-183° Alfa-Aesar
mp 233 - 234 MolMall (formerly Molecular Diversity Preservation International)
Purity 97% Matrix Scientific
H phrase H301: Toxic if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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. Acros Organics
Warnings Toxic Matrix Scientific
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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