UCSF

ZINC52537244

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

Popular Name: 9-benzyl-1,9-diazaspiro[5.5]undecane 9-benzyl-1,9-diazaspiro[5.5]unde…

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CAS Numbers: 1100748-66-0 , [1100748-66-0]

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) 2.90 8.87 -109.23 3 2 2 21 246.398 2 ↓
Mid Mid (pH 6-8) 2.90 6.64 -35.17 2 2 1 20 245.39 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 171 - 172 KeyOrganics
Purity 97% Matrix Scientific
Purity >97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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