UCSF

ZINC19851372

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 Yes

Popular Name: 1-Benzyl-3-methylpiperazine 1-Benzyl-3-methylpiperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 132871-11-5 , 132871-12-6 , 3138-90-7 , [132871-11-5] , [3138-90-7]

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) 1.72 4.31 -37.73 2 2 1 20 191.298 2 ↓
Hi High (pH 8-9.5) 1.72 2.96 -2.63 1 2 0 15 190.29 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 125-126?/2mm Alfa-Aesar
Boiling_Point 125-126°/2mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
BP 92°/0.23mm Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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