UCSF

ZINC01699263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: N-(2-Cyanoethyl)-N-methylaniline N-(2-Cyanoethyl)-N-methylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 94-34-8 , [94-34-8]

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) 1.50 6.35 -6.6 0 2 0 27 160.22 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 125-127?/4mm Alfa-Aesar
Boiling_Point 125-127°/4mm Alfa-Aesar
BP 186 / 23 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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