UCSF

ZINC32575051

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) 1.57 6.07 -115.05 3 2 2 21 178.279 1
Hi High (pH 8-9.5) 1.57 2.54 -2.16 1 2 0 15 176.263 1
Mid Mid (pH 6-8) 1.57 3.67 -35.87 2 2 1 20 177.271 1
Mid Mid (pH 6-8) 1.57 4.92 -33.55 2 2 1 16 177.271 1

Vendor Notes

Note Type Comments Provided By
MP 45 - 47 Enamine Building Blocks
MP 45...47 Enamine Building Blocks
Mp [°C] 55 - 59 Acros Organics
Melting_Point 56-60? Alfa-Aesar
Melting_Point 56-60° Alfa-Aesar
MP 60 TCI
MP 60° Oakwood Chemical
BP [°C] 85 (p=0.5 torr) Acros Organics
Boiling_Point 85?/0.5mm Alfa-Aesar
Boiling_Point 85°/0.5mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H412: Harmful to aquatic life with long lasting effects; H302: Harmful if swallowed; H312: Harmful in contact with skin; H318: Causes serious eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; 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 Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R38: Irritating to skin.; R41: Risk of serious damage to eyes.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 XN: Harmful Acros Organics

Activity (Go SEA)

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