UCSF

ZINC00056487

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate methyl 1-benzyl-5-oxopyrrolidine…

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CAS Numbers: 428518-36-9 , 428518-44-9 , 51523-00-3 , 51535-00-3 , [1341121-46-7] , [51523-00-3] , [51535-00-3]

Download: MOL2 SDF SMILES Flexibase

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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) 1.43 6.85 -13.29 0 4 0 47 233.267 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 62 - 66 Acros Organics
MP 63 - 66 Enamine Building Blocks
Melting_Point 63-66? Alfa-Aesar
MP 63-66° Oakwood Chemical
MP 63...66 Enamine Building Blocks
MP 66-68° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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