UCSF

ZINC04521837

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 30 Yes

Popular Name: Bis(2-ethylhexyl) sebacate Bis(2-ethylhexyl) sebacate

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CAS Number: 122-62-3

Download: MOL2 SDF SMILES Flexibase

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) 8.87 18.81 -7.83 0 4 0 53 426.682 23 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 55 Acros Organics
Boiling_Point 211-213?/1mm Alfa-Aesar
Boiling_Point 211-213°/1mm Alfa-Aesar
BP [°C] 212 (p=1 torr) Acros Organics
BP 377 TCI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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