UCSF

ZINC03875494

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 25 Yes

Popular Name: Tributyl citrate Tributyl citrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 77-94-1 , [77-94-1]

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) 3.56 3.18 -23.46 1 7 0 99 360.447 17 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 20 Acros Organics
Melting_Point 20? Alfa-Aesar
Melting_Point 20° Alfa-Aesar
BP [°C] 325 Acros Organics
Boiling_Point 325? Alfa-Aesar
Boiling_Point 325° Alfa-Aesar
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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