UCSF

ZINC05000139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 12 Yes

Popular Name: 4-Isobutoxyaniline 4-Isobutoxyaniline

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CAS Numbers: 1050161-26-6 , 5198-04-9 , [5198-04-9]

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) 2.19 -0.42 -3.61 2 2 0 35 165.236 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 145-146°/10 Torr Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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