UCSF

ZINC00129867

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 Yes

Popular Name: 3-amino-3-(4-ethoxyphenyl)propanoic acid 3-amino-3-(4-ethoxyphenyl)propan…

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CAS Numbers: 38499-22-8 , [38499-22-8]

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) -0.62 3.31 -43.61 3 4 0 77 209.245 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 233 - 235 KeyOrganics
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0706521A1; US5605914; US5698579; US5877200; US6075041 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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