UCSF

ZINC19685456

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 12 Yes

Popular Name: 1,1-Dimethyl-2-(4-methyl-piperazin-1-yl)-ethylamine 1,1-Dimethyl-2-(4-methyl-piperaz…

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CAS Numbers: 84725-48-4 , [84725-48-4]

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) 0.45 1.22 -103.44 4 3 2 35 173.304 2 ↓
Mid Mid (pH 6-8) 0.45 1.3 -109.61 4 3 2 35 173.304 2 ↓
Mid Mid (pH 6-8) 0.45 -1.25 -37.06 3 3 1 34 172.296 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0175927A2; EP0175927B1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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