UCSF

ZINC34802160

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) 0.04 -0.41 -2.95 2 1 0 26 99.055 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 218? subl. Alfa-Aesar
Melting_Point 218° subl. Alfa-Aesar
MP 220 - 222 Enamine Building Blocks
MP 220-222° Matrix Scientific
MP 220...222 Enamine Building Blocks
MP 229 - 231 Enamine Building Blocks
MP 229...231 Enamine Building Blocks
Boiling_Point 36-38? Alfa-Aesar
Boiling_Point 36-38° Alfa-Aesar
BP 37 TCI
BP [°C] 37 - 38 Acros Organics
BP 37-38° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Purity 99% Matrix Scientific
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
Warnings Flammable/Corrosive/Refrigerate Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H225: Highly flammable liquid and vapor Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings IRRITANT-HARMFUL, FLAMMABLE, CORROSIVE Matrix Scientific
Notes J. Am. Chem. Soc., 97, 952 (1975): very selective catalyst for the isomerisation of unsaturated ketones Apollo Scientific
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 eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R11: Highly 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.; 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 unwell, seek medical advice immediately (show the Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.