UCSF

ZINC01574332

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: N-(2-cyanoethyl)-n-ethylaniline N-(2-cyanoethyl)-n-ethylaniline

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CAS Numbers: 148-87-8 , [148-87-8]

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) 1.87 7.28 -6.56 0 2 0 27 174.247 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 176 / 19 TCI
Purity 95% Fluorochem
Purity 98% APIChem

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