UCSF

ZINC00157067

Annotations

Vendors

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) 1.42 4.24 -46.99 0 3 -1 49 165.168 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 138-140?/3mm Alfa-Aesar
Boiling_Point 138-140°/3mm Alfa-Aesar
BP [°C] 140 (p=3 torr) Acros Organics
BP 140°/3mm Oakwood Chemical
BP 305 TCI
Mp [°C] 84 - 88 Acros Organics
M.P 84-86 °C Indofine
MP 84-86° Oakwood Chemical
Melting_Point 84-88? Alfa-Aesar
Melting_Point 84-88° Alfa-Aesar
MP 86 TCI
MP 86 - 89 Enamine Building Blocks
MP 86...89 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% APIChem
UniProt Database Links FLIN_PECCC; MOPA_RHOCA ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing 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 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; 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% )