UCSF

ZINC54967342

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 Yes

Popular Name: 1-Benzylpyrrolidine-3-carbonitrile 1-Benzylpyrrolidine-3-carbonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10603-52-8 , 1188265-21-5 , 157528-56-8 , [10603-52-8] , [10604-59-8] , [118826-52-1] , [1188265-21-5]

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) 2.03 5.39 -6.42 0 2 0 27 186.258 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 120°/0.4 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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