UCSF

ZINC01675345

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) 4.66 9.4 -31.73 1 1 1 4 186.363 9

Vendor Notes

Note Type Comments Provided By
Mp [°C] 70 Acros Organics
MP 70 - -70 Enamine Building Blocks
MP 72 - -70 Enamine Building Blocks
MP 72...-70 Enamine Building Blocks
BP [°C] 215 Acros Organics
Boiling_Point 216? Alfa-Aesar
Boiling_Point 216° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Melting_Point <-70? Alfa-Aesar
Melting_Point <-70° Alfa-Aesar
Patent Database Links EP0789020; EP0949247; EP1081146; EP1125908; EP1211254; EP1348692; EP1484325; EP1541582; EP1632490; EP1702921; EP1769867; EP1806337; EP1840122; EP1845088; EP1987830; US2004014940; US2005026903; US2005026978; US2005059827; US2005124635; US2005176967; US2006 ChEBI
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects; H315: Causes skin irritation; H330: Fatal if inhaled; H311: Toxic in contact with skin 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; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P310: Immediately call a POISON CENTER Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R38: Irritating to skin.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where pos Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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