UCSF

ZINC01689760

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Vendors

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) -0.11 0.76 -5.69 0 3 0 28 134.175 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] 64 Acros Organics
Melting_Point 64? Alfa-Aesar
Melting_Point 64° Alfa-Aesar
Boiling_Point 161-162? Alfa-Aesar
Boiling_Point 161-162° Alfa-Aesar
BP [°C] 162 Acros Organics
BP 162° Oakwood Chemical
ALOGPS_SOLUBILITY 6.09e+01 g/l DrugBank-experimental
Purity 99% Fluorochem
Patent Database Links EP0812845; EP0818446; EP0916675; EP0934943; EP0994115; EP1092720; EP1279668; EP1298116; EP1325911; EP1422213; EP1433784; EP1632485; EP1645559; EP1719750; EP1806344; EP1905761; EP1955665; GB2376945; US2001007037; US2002193594; US2003236406; US2004019211; U ChEBI
H phrase H360: May damage fertility or the unborn child Acros Organics
H phrase H360: May damage fertility or the unborn child; H226: Flammable liquid and vapor; EUH019: May form explosive peroxides Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P233: Keep container tightly closed; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R60: May impair fertility. Acros Organics
R phrase R60: May impair fertility.; R61: May cause harm to the unborn child.; R10: Flammable.; R19: May form explosive peroxides. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. 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

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