UCSF

ZINC02146619

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 9 Yes

Popular Name: 3-(1-Pyrrolidino)propionitrile 3-(1-Pyrrolidino)propionitrile

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CAS Numbers: 26165-45-7 , [26165-45-7]

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) 0.20 5.09 -44.75 1 2 1 28 125.195 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 104-105?/15mm Alfa-Aesar
BP 104-105° Matrix Scientific
Boiling_Point 104-105°/15mm Alfa-Aesar
BP 70°/5mm Oakwood Chemical
Purity 97% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific
Warnings Toxic Matrix Scientific

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