UCSF

ZINC00394108

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: N,N-Diethylbenzamide N,N-Diethylbenzamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1696-17-9 , [1696-17-9]

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) 1.66 6.22 -9.02 0 2 0 20 177.247 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 146-150?/15mm Alfa-Aesar
Boiling_Point 146-150°/15mm Alfa-Aesar
Melting_Point 28-32? Alfa-Aesar
Melting_Point 28-32° Alfa-Aesar

Activity (Go SEA)

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