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26455-36-7 molecular structure
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4-(cyclopentyloxy)aniline

ChemBase ID: 18350
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
O(c1ccc(N)cc1)C1CCCC1
Canonical SMILES:
Nc1ccc(cc1)OC1CCCC1
InChI:
InChI=1S/C11H15NO/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4,12H2
InChIKey:
BYQMUVAEWOWYTC-UHFFFAOYSA-N

Cite this record

CBID:18350 http://www.chembase.cn/molecule-18350.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(cyclopentyloxy)aniline
IUPAC Traditional name
4-(cyclopentyloxy)aniline
Synonyms
4-Cyclopentyloxy-phenylamine
4-(cyclopentyloxy)aniline
CAS Number
26455-36-7
MDL Number
MFCD00019279
PubChem SID
160981657
PubChem CID
6484448

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6484448 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1928167  LogD (pH = 7.4) 2.3391216 
Log P 2.3413506  Molar Refractivity 53.6348 cm3
Polarizability 20.628288 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.476 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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