UCSF

ZINC00394788

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 8 Yes

Popular Name: sec-Butyl acetate sec-Butyl acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105-46-4 , 9003-20-7

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) 1.63 4.58 -5.2 0 2 0 26 116.16 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 99? Alfa-Aesar
Melting_Point 99° Alfa-Aesar
Boiling_Point 111-112? Alfa-Aesar
Boiling_Point 111-112° Alfa-Aesar
BP 112 TCI

Activity (Go SEA)

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