UCSF

ZINC12358876

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) 0.56 3.83 -11.74 0 4 0 53 144.126 4

Vendor Notes

Note Type Comments Provided By
MP 19 TCI
Melting_Point 19? Alfa-Aesar
Melting_Point 19° Alfa-Aesar
BP [°C] 204 - 205 Acros Organics
Boiling_Point 204-205? Alfa-Aesar
Boiling_Point 204-205° Alfa-Aesar
BP 205 TCI
Patent Database Links EP0928820; EP0962438; EP1108702; EP1428812; EP1820495; WO2005058855 ChEBI
H phrase H302: Harmful if swallowed; H311: Toxic in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H317: May cause an allergic skin reaction Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
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; 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 SKIN: Wash wit Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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