UCSF

ZINC00157462

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) 1.23 2.49 -8.08 1 4 0 66 153.137 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 185 (p=12 torr) Acros Organics
BP 185 / 12 TCI
Boiling_Point 185?/12mm Alfa-Aesar
Boiling_Point 185°/12mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92 - 94 Enamine Building Blocks
Mp [°C] 92 - 95 Acros Organics
M.P 92-94 °C Indofine
Melting_Point 92-95? Alfa-Aesar
Melting_Point 92-95° Alfa-Aesar
MP 92...94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 97% APIChem
Purity 99% Fluorochem
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H312: Harmful in contact with skin; H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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