UCSF

ZINC04227543

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 Yes

Popular Name: (4-butoxy-3-methoxybenzyl)amine (4-butoxy-3-methoxybenzyl)amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 854180-43-1 , N/A , [854180-43-1]

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) 2.21 -1.29 -50.19 3 3 1 46 210.297 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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