UCSF

ZINC20221049

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 Yes

Popular Name: 3-(2-aminophenyl)-N-methylpropanamide 3-(2-aminophenyl)-N-methylpropan…

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CAS Numbers: , 1018506-37-0 , [1018506-37-0]

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) 1.18 2.17 -9.92 3 3 0 55 178.235 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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