UCSF

ZINC01297855

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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) 1.45 4.69 -48.17 0 2 -1 40 137.158 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 136-138?/14mm Alfa-Aesar
Boiling_Point 136-138°/14mm Alfa-Aesar
Purity 95+% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R34: Causes burns. Acros Organics
PUBCHEM_PATENT_ID WO2000027823A1 IBM Patent Data

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