UCSF

ZINC19735214

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 10 Yes

Popular Name: 1-sec-Butyl-piperazine dihydrochloride 1-sec-Butyl-piperazine dihydroch…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34581-21-0 , 435341-98-3 , 686721-30-2 , [33174-08-2] , [435341-98-3]

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) 0.85 2.12 -36.13 2 2 1 20 143.254 2 ↓
Lo Low (pH 4.5-6) 0.85 2.72 -27.69 2 2 1 16 143.254 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0169712A2; EP0177287A2; US4698340; US4727073 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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