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3297-68-5 molecular structure
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N-[(1Z)-2-(pyridin-2-yl)cyclohexylidene]hydroxylamine

ChemBase ID: 113330
Molecular Formular: C11H14N2O
Molecular Mass: 190.24166
Monoisotopic Mass: 190.11061308
SMILES and InChIs

SMILES:
C1(/C(=N\O)/CCCC1)c1ncccc1
Canonical SMILES:
O/N=C\1/CCCCC1c1ccccn1
InChI:
InChI=1S/C11H14N2O/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12-10/h3-4,6,8-9,14H,1-2,5,7H2/b13-11-
InChIKey:
GVMAYKQRHPICEB-QBFSEMIESA-N

Cite this record

CBID:113330 http://www.chembase.cn/molecule-113330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1Z)-2-(pyridin-2-yl)cyclohexylidene]hydroxylamine
IUPAC Traditional name
N-[(1Z)-2-(pyridin-2-yl)cyclohexylidene]hydroxylamine
Synonyms
2-Pyridin-2-yl-cyclohexanone oxime
CAS Number
3297-68-5
MDL Number
MFCD03011704
PubChem SID
162098369
PubChem CID
5707866

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F0848-0294 external link Add to cart Please log in.
Data Source Data ID
PubChem 5707866 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.120672  H Acceptors
H Donor LogD (pH = 5.5) 2.3159032 
LogD (pH = 7.4) 2.342212  Log P 2.3426423 
Molar Refractivity 54.2097 cm3 Polarizability 21.164742 Å3
Polar Surface Area 45.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
1.615 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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