UCSF

ZINC02010291

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 13 Yes

Popular Name: 4-hexylaniline 4-hexylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33228-45-4 , [33228-45-4]

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) 3.89 6.93 -2.25 2 1 0 26 177.291 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 283-285? Alfa-Aesar
Boiling_Point 283-285° Alfa-Aesar
BP 285 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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