UCSF

ZINC01686943

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: 4-Butoxyaniline 4-Butoxyaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39905-57-2 , 4344-55-2 , [4344-55-2]

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) 2.51 -0.63 -3.71 2 2 0 35 165.236 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 99% APIChem
BP 148-149°/13mm Fluorochem
Boiling_Point 155-158?/5mm Alfa-Aesar
BP 157 / 23 TCI
Melting_Point 43-45? Alfa-Aesar
Boiling_Point 84-86?/0.05mm Alfa-Aesar
Boiling_Point 84-86°/0.05mm Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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