UCSF

ZINC00159743

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 3-oxo-3-pyrrolidin-1-ylpropanenitrile 3-oxo-3-pyrrolidin-1-ylpropaneni…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14227-95-3 , [14227-95-3]

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) -0.48 3.4 -15.62 0 3 0 44 138.17 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 71 - 73 KeyOrganics
Melting_Point 71-74? Alfa-Aesar
Melting_Point 71-74° Alfa-Aesar
MP 73 - 77 Enamine Building Blocks
MP 74 - 76 Enamine Building Blocks
MP 74...76 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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