CAS 100-64-1|cyclohexan-1-one oxime|N-cyclohexylidenehydroxylamine|cyclohexanone oxime|Cyclohexanone oxime|Cyclohexanone oxime|环己酮肟

General Information

Structure

Molecular Formula

C₆H₁₁NO

Molecular Mass

113.15764

Exact Mass

113.08406398

Charge

InChI

InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2

InChIKey

VEZUQRBDRNJBJY-UHFFFAOYSA-N

Canonic Smiles

ON=C1CCCCC1

Isomeric Smiles

N(=C1CCCCC1)O

Calculated Properties

JChem

Acid pKa

11.959575

H Acceptors

H Donor

LogD (pH = 5.5)

1.4951934

LogD (pH = 7.4)

1.4976308

Log P

1.4976741

Molar Refractivity

32.0691

Polarizability

12.472337

Polar Surface Area

32.59

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

cyclohexan-1-one oximeCyclohexanone oximeCyclohexanone oxime环己酮肟

IUPAC name

N-cyclohexylidenehydroxylamine

IUPAC Traditional name

cyclohexanone oxime

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

EC Number

Beilstein Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05211911

MP Biomedicals Rare Chemical collection

Sigma Aldrich

C102202

Packaging
100, 500 g in poly bottle
5 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Reacts with dimethyl carbonate to give a 4-oxazolin-2-one derivative: J. Org. Chem., 58, 5765 (1993):

• Can be converted to nitrocyclohexane either indirectly via the chloronitroso intermediate, or in one step using sodium perborate in acetic acid: Synlett, 337 (1992).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

cyclohexan-1-one oximeCyclohexanone oximeCyclohexanone oxime环己酮肟

IUPAC name

N-cyclohexylidenehydroxylamine

IUPAC Traditional name

cyclohexanone oxime

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

EC Number

Beilstein Number

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

C102202

Packaging
100, 500 g in poly bottle
5 g in glass bottle

References

PubChem Literature

From Data Sources

• Reacts with dimethyl carbonate to give a 4-oxazolin-2-one derivative: J. Org. Chem., 58, 5765 (1993):

• Can be converted to nitrocyclohexane either indirectly via the chloronitroso intermediate, or in one step using sodium perborate in acetic acid: Synlett, 337 (1992).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:71585