UCSF

ZINC00157162

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) 2.83 0.56 -8.35 1 2 0 37 172.183 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 191-193?/27mm Alfa-Aesar
Boiling_Point 191-193°/27mm Alfa-Aesar
BP [°C] 192 (p=27 torr) Acros Organics
BP 192 / 27 TCI
MP 76 - 80 Enamine Building Blocks
MP 76...80 Enamine Building Blocks
Melting_Point 77-80? Alfa-Aesar
Melting_Point 77-80° Alfa-Aesar
MP 81 TCI
MP 82 - 85 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Mp [°C] >77 Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
Hazard N: Dangerous for the environment Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
R phrase R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S29: Do not empty into drains. Acros Organics
S phrase S29: Do not empty into drains.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics

Activity (Go SEA)

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