UCSF

ZINC08294954

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) 1.54 4.01 -4.23 0 1 0 13 107.156 0
Lo Low (pH 4.5-6) 1.54 4.28 -27.1 1 1 1 14 108.164 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 60 Acros Organics
MP 60 - -58 Enamine Building Blocks
MP 60 - -60 Enamine Building Blocks
Melting_Point 60? Alfa-Aesar
Melting_Point 60° Alfa-Aesar
MP 61 - -60 Enamine Building Blocks
MP 62 - -60 Enamine Building Blocks
MP 62...-60 Enamine Building Blocks
MP 64 TCI
BP 157 TCI
Boiling_Point 158-160? Alfa-Aesar
Boiling_Point 158-160° Alfa-Aesar
BP [°C] 159 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation; H226: Flammable liquid and vapor Acros Organics
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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P340: IF INHALED: Remove victim to fresh air and ke Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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 accid Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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