UCSF

ZINC19366060

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) 0.23 2.22 -31.98 1 2 1 8 115.2 0
Mid Mid (pH 6-8) 0.23 -0.27 -1.74 0 2 0 6 114.192 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 1 Acros Organics
Melting_Point 1? Alfa-Aesar
Melting_Point Alfa-Aesar
BP [°C] 130 - 133 Acros Organics
Boiling_Point 131-132? Alfa-Aesar
Boiling_Point 131-132° Alfa-Aesar
BP 133 TCI
MP 42 - 44 Enamine Building Blocks
MP 42...44 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Hazard C: Corrosive Acros Organics
PUBCHEM_PATENT_ID EP1060166A1; WO1999040072A1 IBM Patent Data
Hazard F: Highly flammable; C: Corrosive Acros Organics
H phrase H225: Highly flammable liquid and vapor; H314: Causes severe skin burns and eye damage Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R11: Highly flammable.; R34: Causes burns. 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.; S23: Do not breathe gas/fumes/vapour/spray.; S25: Avoid contact with eyes.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwel Acros Organics

Activity (Go SEA)

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