UCSF

ZINC02169157

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) 2.12 0.26 -7.68 0 2 0 30 176.002 1

Vendor Notes

Note Type Comments Provided By
BP 120 / 10 TCI
Mp [°C] 38 - 39 Acros Organics
Melting_Point 38-42? Alfa-Aesar
Melting_Point 38-42° Alfa-Aesar
MP 39 TCI
MP 42 - 44 Enamine Building Blocks
MP 42...44 Enamine Building Blocks
MP 43 - 44 Enamine Building Blocks
MP 44 - 44 Enamine Building Blocks
MP 44 - 46 Enamine Building Blocks
BP [°C] 89 - 91 (p=1 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Boiling_Point 98-100?/2mm Alfa-Aesar
Boiling_Point 98-100°/2mm Alfa-Aesar
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Irritant Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; EUH029: Contact with water liberates toxic gas; EUH014: Reacts violently with water Acros Organics
Warnings IRRITANT Matrix 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 R14: Reacts violently with water. Acros Organics
R phrase R14: Reacts violently with water.; 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% )