UCSF

ZINC01693597

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: Isopentyl butyrate Isopentyl butyrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 106-27-4 , 51115-64-1 , 60415-61-4 , [106-27-4]

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) 2.96 2.9 -4.29 0 2 0 26 158.241 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 73? Alfa-Aesar
Melting_Point 73° Alfa-Aesar
Boiling_Point 178? Alfa-Aesar
Boiling_Point 178° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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