UCSF

ZINC52507717

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Substance Information

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

Popular Name: 1,9-Diazaspiro[5.5]undecane-1-carboxylic acid tert-butyl ester 1,9-Diazaspiro[5.5]undecane-1-ca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1158750-00-5 , 1228182-67-9 , [115875-00-8] , [1158750-00-5] , [1228182-67-9]

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) 2.18 5.81 -35.2 2 4 1 46 255.382 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.800000000000000e+002 - 1.820000000000000e+002 KeyOrganics
melting_point 180 - 182 KeyOrganics
melting_point 180 - 182 (Dec) KeyOrganics
MP 180-182° (dec) Matrix Scientific
Purity 95% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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