UCSF

ZINC22171577

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 Yes

Popular Name: 1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanamine 1-[3-methoxy-4-(3-methylbutoxy)p…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 854185-19-6 , 854185-21-0 , N/A , [854185-19-6]

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) 2.42 4.73 -51.43 3 3 1 46 224.324 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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