UCSF

ZINC00164076

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) 0.16 0.79 -5.69 1 2 0 33 123.155 1
Lo Low (pH 4.5-6) 0.16 1.03 -27.6 2 2 1 34 124.163 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 105 - 108 (p=12 torr) Acros Organics
Boiling_Point 105-108?/12mm Alfa-Aesar
Boiling_Point 105-108°/12mm Alfa-Aesar
Mp [°C] 32 - 34 Acros Organics
Melting_Point 32-34? Alfa-Aesar
Melting_Point 32-34° Alfa-Aesar
MP 32...34 Enamine Building Blocks
MP 34 - 36 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; H312: Harmful in contact with skin; H302: Harmful if swallowed Acros Organics
melting_point LMS KeyOrganics
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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p 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.; 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.; 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% )