UCSF

ZINC39134159

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 Yes

Popular Name: 2-(2-ethylpiperidin-1-yl)ethanamine 2-(2-ethylpiperidin-1-yl)ethanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22014-04-6 , [22014-04-6]

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) 0.92 2.25 -41.73 3 2 1 31 157.281 3 ↓
Mid Mid (pH 6-8) 0.92 3.76 -111.37 4 2 2 32 158.289 3 ↓
Mid Mid (pH 6-8) 0.92 3.38 -28.64 3 2 1 30 157.281 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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