UCSF

ZINC19399947

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 Yes

Popular Name: 1-(4-Bromobenzyl)piperazine 1-(4-Bromobenzyl)piperazine

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CAS Numbers: 510725-48-1 , 91345-62-9 , [510725-48-1] , [91345-62-9]

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) 1.85 4.06 -41.17 2 2 1 20 256.167 2 ↓
Hi High (pH 8-9.5) 1.85 2.65 -2.47 1 2 0 15 255.159 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 112-116°/0.3mm Oakwood Chemical
MP 56 - 62 Enamine Building Blocks
MP 56-62° Oakwood Chemical
MP 56...62 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% )