UCSF

ZINC19688606

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 2.94 -82.67 3 3 2 24 185.315 1
Hi High (pH 8-9.5) 0.06 1.6 -34.71 2 3 1 20 184.307 1
Mid Mid (pH 6-8) 0.06 2.53 -69.19 2 3 1 23 184.307 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 112 (p=2 torr) Acros Organics
Melting_Point 29-32? Alfa-Aesar
Melting_Point 29-32° Alfa-Aesar
Purity 98% Fluorochem
BP 99°/0.08mm Oakwood Chemical
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H332: Harmful if inhaled Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse caut 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.; R34: Causes burns. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible Acros Organics

Activity (Go SEA)

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