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4504-43-2 molecular structure
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2-(phenylamino)cyclohexan-1-one

ChemBase ID: 310573
Molecular Formular: C12H15NO
Molecular Mass: 189.2536
Monoisotopic Mass: 189.11536411
SMILES and InChIs

SMILES:
N(C1C(=O)CCCC1)c1ccccc1
Canonical SMILES:
O=C1CCCCC1Nc1ccccc1
InChI:
InChI=1S/C12H15NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2
InChIKey:
AWMZFBYYIATTOW-UHFFFAOYSA-N

Cite this record

CBID:310573 http://www.chembase.cn/molecule-310573.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(phenylamino)cyclohexan-1-one
IUPAC Traditional name
2-(phenylamino)cyclohexan-1-one
Synonyms
2-anilinocyclohexanone
CAS Number
4504-43-2
MDL Number
MFCD00465146

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5802927  LogD (pH = 7.4) 2.5817113 
Log P 2.5817294  Molar Refractivity 57.7301 cm3
Polarizability 21.866861 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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