UCSF

ZINC00030108

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 4-(tert-Butyl)benzamide 4-(tert-Butyl)benzamide

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CAS Numbers: 56108-12-4 , [56108-12-4]

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) 2.46 -0.36 -7.99 2 2 0 43 177.247 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 170-173° Oakwood Chemical
Melting_Point 171-175? Alfa-Aesar
Melting_Point 171-175° Alfa-Aesar
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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