UCSF

ZINC19365717

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 Yes

Popular Name: (1-(Piperidin-1-yl)cyclohexyl)methanamine (1-(Piperidin-1-yl)cyclohexyl)me…

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CAS Numbers: 1228878-93-0 , 41805-36-1 , [1228878-93-0] , [41805-36-1]

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) 2.03 5.37 -119.56 4 2 2 32 198.354 2 ↓
Mid Mid (pH 6-8) 2.03 3.49 -42.8 3 2 1 31 197.346 2 ↓

Vendor Notes

Note Type Comments Provided By
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% )