UCSF

ZINC05762010

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) -0.06 -0.76 -6.07 1 4 0 55 129.115 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 137 (p=6 torr) Acros Organics
BP 137 / 6 TCI
Mp [°C] 75 - 77 Acros Organics
Melting_Point 77-80? Alfa-Aesar
Melting_Point 77-80° Alfa-Aesar
MP 79 TCI
Purity 95% Fluorochem
Therapy anticonvulsant SMDC Pharmakon
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H373: May cause damage to organs through prolonged or repeated exposure; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 Acros Organics
R phrase R33: Danger of cumulative effects. Acros Organics
R phrase R33: Danger of cumulative effects.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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