UCSF

ZINC19512239

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 10 No

Popular Name: (4-Methylpiperidin-1-yl)acetonitrile (4-Methylpiperidin-1-yl)acetonit…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 847574-01-0 , 951905-03-6 , [847574-01-0] , [951905-03-6]

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) 1.28 3.45 -6.08 0 2 0 27 138.214 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000047212A1 IBM Patent Data

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