UCSF

ZINC02526488

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 Yes

Popular Name: Ethyl 1-benzylpyrrolidine-3-carboxylate Ethyl 1-benzylpyrrolidine-3-carb…

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CAS Numbers: 5747-92-2 , [5747-92-2]

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) 2.48 2.29 -42.71 1 3 1 30 234.319 5 ↓
Hi High (pH 8-9.5) -0.71 10.68 -23.1 1 11 0 119 490.488 8 ↓

Vendor Notes

Note Type Comments Provided By
BP 118-120°/0.75 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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