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902836-75-3 molecular structure
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N-ethyl-2-(piperidin-3-yloxy)acetamide

ChemBase ID: 297681
Molecular Formular: C9H18N2O2
Molecular Mass: 186.25142
Monoisotopic Mass: 186.13682783
SMILES and InChIs

SMILES:
CCNC(=O)COC1CCCNC1
Canonical SMILES:
CCNC(=O)COC1CCCNC1
InChI:
InChI=1S/C9H18N2O2/c1-2-11-9(12)7-13-8-4-3-5-10-6-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKey:
JGCONOWJRQLSGE-UHFFFAOYSA-N

Cite this record

CBID:297681 http://www.chembase.cn/molecule-297681.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-2-(piperidin-3-yloxy)acetamide
IUPAC Traditional name
N-ethyl-2-(piperidin-3-yloxy)acetamide
Synonyms
N-Ethyl-2-(3-piperidinyloxy)acetamide
N-乙基-2-(3-哌啶氧基)乙酰胺
CAS Number
902836-75-3
MDL Number
MFCD08061066
PubChem SID
180683212
PubChem CID
24208864

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 24208864 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.621956  H Acceptors
H Donor LogD (pH = 5.5) -3.6671531 
LogD (pH = 7.4) -2.4467378  Log P -0.52276474 
Molar Refractivity 50.5002 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
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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