UCSF

ZINC04977588

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 17 Yes

Popular Name: N-(tert-Butyl)decahydroisoquinoline-3-carboxamide N-(tert-Butyl)decahydroisoquinol…

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CAS Numbers: 136465-81-1 , 168899-60-3 , [136465-81-1]

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) 2.66 5.05 -39.05 3 3 1 46 239.383 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 108 - 110 KeyOrganics
PUBCHEM_PATENT_ID EP0346847A2; EP0346847B1; US5157041; US5446161; US5554756; US5620987; US5652369 IBM Patent Data

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