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108122-25-4 molecular structure
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1-(6-ethoxypyridin-2-yl)piperazine

ChemBase ID: 271473
Molecular Formular: C11H17N3O
Molecular Mass: 207.27218
Monoisotopic Mass: 207.13716218
SMILES and InChIs

SMILES:
n1c(N2CCNCC2)cccc1OCC
Canonical SMILES:
CCOc1cccc(n1)N1CCNCC1
InChI:
InChI=1S/C11H17N3O/c1-2-15-11-5-3-4-10(13-11)14-8-6-12-7-9-14/h3-5,12H,2,6-9H2,1H3
InChIKey:
IGBPLIGXKQSNKV-UHFFFAOYSA-N

Cite this record

CBID:271473 http://www.chembase.cn/molecule-271473.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-ethoxypyridin-2-yl)piperazine
IUPAC Traditional name
1-(6-ethoxypyridin-2-yl)piperazine
Synonyms
1-(6-ethoxypyridin-2-yl)piperazine
2-Ethoxy-6-(1-piperazinyl)pyridine
1-(6-Ethoxy-2-pyridyl)piperazine
1-(6-乙氧基-2-吡啶)哌嗪
CAS Number
108122-25-4
MDL Number
MFCD08061051
PubChem SID
164327383
PubChem CID
13795742

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13795742 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -1.2444643 
LogD (pH = 7.4) 0.32409704  Log P 1.7157407 
Molar Refractivity 60.9239 cm3 Polarizability 23.094257 Å3
Polar Surface Area 37.39 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.483 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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