UCSF

ZINC12359991

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 14 Yes

Popular Name: Ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate Ethyl 3-oxo-8-azabicyclo[3.2.1]o…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32499-64-2 , [32499-64-2]

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) 0.74 4.65 -7.58 0 4 0 47 197.234 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 152-153?/11mm Alfa-Aesar
Boiling_Point 152-153°/11mm Alfa-Aesar
BP 153 / 11 TCI
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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