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815655-77-7 molecular structure
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2-[1-(furan-3-ylmethyl)piperazin-2-yl]ethan-1-ol

ChemBase ID: 312174
Molecular Formular: C11H18N2O2
Molecular Mass: 210.27282
Monoisotopic Mass: 210.13682783
SMILES and InChIs

SMILES:
N1(Cc2cocc2)C(CCO)CNCC1
Canonical SMILES:
OCCC1CNCCN1Cc1cocc1
InChI:
InChI=1S/C11H18N2O2/c14-5-1-11-7-12-3-4-13(11)8-10-2-6-15-9-10/h2,6,9,11-12,14H,1,3-5,7-8H2
InChIKey:
WJSNYEZRMFBJST-UHFFFAOYSA-N

Cite this record

CBID:312174 http://www.chembase.cn/molecule-312174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[1-(furan-3-ylmethyl)piperazin-2-yl]ethan-1-ol
IUPAC Traditional name
2-[1-(furan-3-ylmethyl)piperazin-2-yl]ethanol
Synonyms
2-[1-(3-furylmethyl)-2-piperazinyl]ethanol
CAS Number
815655-77-7
MDL Number
MFCD05870557

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.176743  LogD (pH = 7.4) -1.7344419 
Log P -0.05141546  Molar Refractivity 58.6974 cm3
Polarizability 23.024176 Å3 Polar Surface Area 48.64 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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