UCSF

ZINC05000140

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 11 Yes

Popular Name: 4-(Allyloxy)aniline 4-(Allyloxy)aniline

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CAS Numbers: 1688-69-3 , [1688-69-3]

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) 1.72 3.17 -4.03 2 2 0 35 149.193 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 142-143°/13 Torr Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.