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521074-81-7 molecular structure
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N-ethyl-2-(piperidin-4-yloxy)acetamide

ChemBase ID: 297672
Molecular Formular: C9H18N2O2
Molecular Mass: 186.25142
Monoisotopic Mass: 186.13682783
SMILES and InChIs

SMILES:
CCNC(=O)COC1CCNCC1
Canonical SMILES:
CCNC(=O)COC1CCNCC1
InChI:
InChI=1S/C9H18N2O2/c1-2-11-9(12)7-13-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKey:
FICKGLKQSSSVOL-UHFFFAOYSA-N

Cite this record

CBID:297672 http://www.chembase.cn/molecule-297672.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-2-(piperidin-4-yloxy)acetamide
IUPAC Traditional name
N-ethyl-2-(piperidin-4-yloxy)acetamide
Synonyms
N-Ethyl-2-(4-piperidinyloxy)acetamide
N-乙基-2-(4-哌啶氧基)乙酰胺
CAS Number
521074-81-7
MDL Number
MFCD08061052
PubChem SID
180683203
PubChem CID
20298099

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 20298099 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.621976  H Acceptors
H Donor LogD (pH = 5.5) -4.2001014 
LogD (pH = 7.4) -3.5116763  Log P -0.9801677 
Molar Refractivity 50.721 cm3 Polarizability 20.017399 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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