UCSF

ZINC02163503

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 15 Yes

Popular Name: 3-(Butyl(phenyl)amino)propanenitrile 3-(Butyl(phenyl)amino)propanenit…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 61852-40-2 , [61852-40-2]

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) 2.94 3.04 -6.41 0 2 0 27 202.301 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 148 / 0.7 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US4256458 IBM Patent Data

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