UCSF

ZINC19075763

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) 0.75 3.14 -4.61 0 2 0 16 122.171 1

Vendor Notes

Note Type Comments Provided By
MP 108 - 114 Enamine Building Blocks
MP 108...114 Enamine Building Blocks
MP 110 TCI
Mp [°C] 110 - 113 Acros Organics
Melting_Point 110-113? Alfa-Aesar
Melting_Point 110-113° Alfa-Aesar
MP 112-114° Matrix Scientific
Melting_Point 129-132? Alfa-Aesar
BP [°C] 162 (p=50 torr) Acros Organics
Boiling_Point 162?/50mm Alfa-Aesar
Boiling_Point 162°/50mm Alfa-Aesar
BP 190 / 150 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Purity 99% Matrix Scientific
H phrase H310: Fatal in contact with skin Acros Organics
H phrase H310: Fatal in contact with skin; H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage 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; P361: Remove/Take off immediately all contaminated clothing; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P301 + P330 + P331: IF SWALLOWED: rinse mouth Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
R phrase R25: Toxic if swallowed.; R27: Very toxic in contact with skin.; R34: Causes burns. 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.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: Acros Organics
Hazard T+: Very toxic Acros Organics
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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