UCSF

ZINC00169670

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: N-(2-hydroxy-1,1-dimethylethyl)-2-methoxybenzenecarboxamide N-(2-hydroxy-1,1-dimethylethyl)-…

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CAS Numbers: 74201-13-1 , [74201-13-1]

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) 1.87 2.11 -12.77 2 4 0 59 223.272 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 129-131° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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