UCSF

ZINC19801175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 14 Yes

Popular Name: 1-(2-phenylethyl)piperazine 1-(2-phenylethyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5321-49-3 , 773848-51-4 , [5321-49-3]

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) 1.44 4.46 -38.54 2 2 1 20 191.298 3 ↓
Hi High (pH 8-9.5) 1.44 3.11 -2.6 1 2 0 15 190.29 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 276? Alfa-Aesar
Boiling_Point 276° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
BP 94-96°/0.1mm Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Toxic/Corrosive Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.