UCSF

ZINC19833426

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 10 Yes

Popular Name: 3-[(2-cyanoethyl)(methyl)amino]propanenitrile 3-[(2-cyanoethyl)(methyl)amino]p…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1555-58-4 , [1555-58-4]

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) -0.74 2.83 -11.58 0 3 0 51 137.186 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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