UCSF

ZINC00172169

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 17 Yes

Popular Name: Benzyl-(4-methoxybenzyl)amine Benzyl-(4-methoxybenzyl)amine

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CAS Numbers: 14429-02-8 , 58405-57-5 , [14429-02-8] , [58405-57-5]

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) 2.95 7.55 -45.81 2 2 1 26 228.315 5 ↓
Hi High (pH 8-9.5) 2.95 6.14 -4.55 1 2 0 21 227.307 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 214-215° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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