UCSF

ZINC01641017

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 Yes

Popular Name: Triethyleneglycoldiacetate Triethyleneglycoldiacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 111-21-7 , [111-21-7]

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) -0.14 4.81 -13.76 0 6 0 71 234.248 11 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 50? Alfa-Aesar
Melting_Point 50° Alfa-Aesar
Boiling_Point 286? Alfa-Aesar
Boiling_Point 286° Alfa-Aesar
BP 300 TCI

Activity (Go SEA)

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