UCSF

ZINC01648322

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 Yes

Popular Name: Triethyl citrate Triethyl citrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 77-93-0 , 78-39-7 , [77-93-0] , [78-39-7]

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) 0.38 6.24 -24.59 1 7 0 99 276.285 11 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.396 Bitter DB
Mp [°C] 46 Acros Organics
Melting_Point 55? Alfa-Aesar
Melting_Point 55° Alfa-Aesar
Boiling_Point 126-127?/1mm Alfa-Aesar
Boiling_Point 126-127°/1mm Alfa-Aesar
BP [°C] 294 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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