UCSF

ZINC00331852

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) 0.73 3.51 -47.46 0 5 -1 82 139.09 1
Mid Mid (pH 6-8) 0.73 2.54 -14.92 1 5 0 79 140.098 1
Lo Low (pH 4.5-6) 0.73 2.76 -43.8 2 5 1 80 141.106 1
Lo Low (pH 4.5-6) 0.73 3.82 -36.6 1 5 0 83 140.098 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 67 - 72 Acros Organics
MP 69 - 71 Enamine Building Blocks
MP 69-71° Oakwood Chemical
Melting_Point 69-73? Alfa-Aesar
Melting_Point 69-73° Alfa-Aesar
MP 69...71 Enamine Building Blocks
MP 71 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
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

Activity (Go SEA)

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