UCSF

ZINC19570520

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 15 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 113698-78-5 , 1185292-94-7 , 55037-81-5 , [55037-81-5]

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) 1.05 3.21 -39.22 2 3 1 29 207.297 3 ↓
Hi High (pH 8-9.5) 1.05 1.8 -4.47 1 3 0 24 206.289 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0008645A1; US4219551 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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