UCSF

ZINC19722047

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 11 Yes

Popular Name: 2-Methyl-2-(4-pyridyl)propionitrile 2-Methyl-2-(4-pyridyl)propionitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 79757-31-6 , [79757-31-6]

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) 1.58 4.72 -7.62 0 2 0 37 146.193 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95%+ Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000047572A1; WO2000058292A1 IBM Patent Data

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