UCSF

ZINC19092850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 14 Yes

Popular Name: 5-Amino-2-(pyrrolidin-1-yl)benzonitrile 5-Amino-2-(pyrrolidin-1-yl)benzo…

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CAS Numbers: 219921-68-3 , [219921-68-3]

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) 1.20 5.1 -6.28 2 3 0 53 187.246 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 125-127° Oakwood Chemical
Purity 95% Fluorochem

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