UCSF

ZINC00168493

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: methyl 4'-amino[1,1'-biphenyl]-4-carboxylate methyl 4'-amino[1,1'-biphenyl]-4…

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CAS Numbers: 5730-76-7 , [5730-76-7]

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) 2.98 0.82 -7.51 2 3 0 52 227.263 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 179 - 182 KeyOrganics
MP 179-182° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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