UCSF

ZINC01577041

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 Yes

Popular Name: N-Benzyl-N-ethylaniline N-Benzyl-N-ethylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 92-59-1 , [92-59-1]

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) 3.81 9.61 -3.36 0 1 0 3 211.308 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 163-164?/6mm Alfa-Aesar
Boiling_Point 163-164°/6mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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