UCSF

ZINC01692489

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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) -0.52 1.42 -8.78 0 5 0 46 222.281 12

Vendor Notes

Note Type Comments Provided By
Mp [°C] 30 Acros Organics
Melting_Point 30? Alfa-Aesar
Melting_Point 30° Alfa-Aesar
BP [°C] 275 - 276 Acros Organics
Boiling_Point 275-276? Alfa-Aesar
Boiling_Point 275-276° Alfa-Aesar
Patent Database Links EP1336609; EP1719750; EP1806344; US2005014826; WO2006025859 ChEBI
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H360Df: May damage the unborn child. Suspected of damaging fertility Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
R phrase R19: May form explosive peroxides. Acros Organics
R phrase R61: May cause harm to the unborn child.; R62: Possible risk of impaired fertility. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics
Hazard XI: Irritant Acros Organics

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