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151666-08-9 molecular structure
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3-phenoxypiperidine

ChemBase ID: 274405
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
N1CC(Oc2ccccc2)CCC1
Canonical SMILES:
C1CCC(CN1)Oc1ccccc1
InChI:
InChI=1S/C11H15NO/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2
InChIKey:
QDPNIJKUTWDGMV-UHFFFAOYSA-N

Cite this record

CBID:274405 http://www.chembase.cn/molecule-274405.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenoxypiperidine
IUPAC Traditional name
3-phenoxypiperidine
Synonyms
3-phenoxypiperidine
3-Phenoxypiperidine
3-苯氧基哌啶
CAS Number
151666-08-9
MDL Number
MFCD04117746
PubChem SID
164330315
PubChem CID
3730581

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3730581 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2514752  LogD (pH = 7.4) -0.132341 
Log P 1.9167356  Molar Refractivity 52.4568 cm3
Polarizability 21.025192 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Refractive Index
1.5430 expand Show data source
Hydrophobicity(logP)
2.22 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 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 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
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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