UCSF

ZINC01848484

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 16 Yes

Popular Name: Ethyl 4-(butylamino)benzoate Ethyl 4-(butylamino)benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 94-32-6 , [94-32-6]

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) 3.78 0.92 -6.09 1 3 0 38 221.3 7 ↓

Vendor Notes

Note Type Comments Provided By
BP 220 / 2 TCI
Boiling_Point 220?/2mm Alfa-Aesar
MP 68-70 °C(lit.) Indofine
MP 68-71o C Indofine
Melting_Point 68-72? Alfa-Aesar
MP 70 TCI

Activity (Go SEA)

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