UCSF

ZINC01601226

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 8-AZASPIRO[4.5]DECANE 8-AZASPIRO[4.5]DECANE

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CAS Numbers: 1123-30-4 , 176-64-7

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) 1.63 -0.89 -37.3 2 1 1 16 140.25 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
BP 90-93°/18mm Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0345627A2; EP0345627B1; US4005077; US4104380; US4181659; US4261891; US4353826; US5075289; US5382590; US5475106; US5500430; US5587479; US5591762; US5594003; US5602127; US5614519; US6140333; WO1992010479A1; WO1993021172A1; WO1994020454A1; WO1995007261A1 IBM Patent Data

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