UCSF

ZINC00388487

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) 2.02 -2.08 -4.51 4 2 0 52 158.204 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 205 (p=12 torr) Acros Organics
Boiling_Point 205?/12mm Alfa-Aesar
Boiling_Point 205°/12mm Alfa-Aesar
Melting_Point 61-65? Alfa-Aesar
Melting_Point 61-65° Alfa-Aesar
Mp [°C] 63 - 66 Acros Organics
MP 63 - 67 Enamine Building Blocks
MP 63...67 Enamine Building Blocks
MP 65 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation; H351: Suspected of causing cancer; H335: May cause respiratory irritation; H302: Harmful if swallowed Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R40: Limited evidence of a carcinogenic effect.; R43: May cause sensitisation by skin contact.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; 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. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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