UCSF

ZINC02038955

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 14 Yes

Popular Name: n-Amyl benzoate n-Amyl benzoate

Find On: PubMed — Wikipedia — Google

CAS Number: 2049-96-9

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) 4.05 2.62 -5.44 0 2 0 26 192.258 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 260 TCI
Boiling_Point 260? Alfa-Aesar
Boiling_Point 260° Alfa-Aesar

Activity (Go SEA)

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