UCSF

ZINC19735202

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 10 Yes

Popular Name: 2-(2-methylpiperidin-1-yl)ethanamine 2-(2-methylpiperidin-1-yl)ethana…

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CAS Numbers: 768-08-1 , [768-08-1]

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) 0.38 3.18 -109.48 4 2 2 32 144.262 2 ↓
Hi High (pH 8-9.5) 0.38 2.78 -28.31 3 2 1 30 143.254 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 88-91°/18 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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