UCSF

ZINC00388382

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) 3.89 2.15 -5.36 0 2 0 26 258.704 3

Vendor Notes

Note Type Comments Provided By
MP 33 - 35 Enamine Building Blocks
MP 33...35 Enamine Building Blocks
Melting_Point 60-64? Alfa-Aesar
Melting_Point 60-64° Alfa-Aesar
MP 62 TCI
MP 62-64 °C(lit.) Indofine
MP 62-64o C Indofine
MP 62-64° Fluorochem
Mp [°C] 63 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Hazard C: Corrosive Acros Organics
SOLUBILITY dioxane: 0.1 g/mL, clear, colorless Indofine
PUBCHEM_PATENT_ID EP0277626A2; EP0413839A1; US4914189; US5413990; US5491217; US5502035; US5610241; WO1994014841A1; WO1995004541A1; WO2000012542A2; WO2000064486A2 IBM Patent Data
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H312: Harmful in contact with skin; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; EUH029: Contact with water liberates toxic gas 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; 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 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, see Acros Organics

Activity (Go SEA)

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