UCSF

ZINC08728888

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 14 Yes

Popular Name: 1-(3-methoxy-4-propoxyphenyl)methanamine 1-(3-methoxy-4-propoxyphenyl)met…

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CAS Numbers: 854207-58-2 , [854207-58-2]

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) 1.65 3.45 -50.23 3 3 1 46 196.27 5 ↓

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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