UCSF

ZINC19737254

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23145-95-1 , [23145-95-1]

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) 2.55 5.38 -39.26 2 2 1 20 219.352 3 ↓
Hi High (pH 8-9.5) 2.55 3.97 -2.36 1 2 0 15 218.344 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 167 - 170 Enamine Building Blocks
MP 167...170 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4005077; US4261891; US4353826 IBM Patent Data

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