UCSF

ZINC02513930

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: 1-(Trifluoroacetyl)piperidine-4-carboxylic acid 1-(Trifluoroacetyl)piperidine-4-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 126501-70-0 , [126501-70-0]

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) 0.61 3.6 -44.89 0 4 -1 60 224.158 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 119 - 121 KeyOrganics
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1997024325A1 IBM Patent Data

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