4-Aminocyclohexanone

Basic Information

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CAS Number

87976-86-1

Molecular Formula

C6H11NO

Molecular Weight

113.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

199.2±33.0 ºC (760 Torr),

Density

1.023±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

74.3±25.4 ºC,

SMILES

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NC1CCC(=O)CC1

InChI

InChI=1S/C6H11NO/c7-5-1-3-6(8)4-2-5/h5H,1-4,7H2

InChIKey

OTCYOBLTAQTFPW-UHFFFAOYSA-N

LogP

0.45679999999999965

Topological Polar Surface Area

43.09 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Synonyms & References

English

4-Aminocyclohexanone
4-AMINO CYCLOHEXANONE HCL
4-aminocyclohexan-1-one
Cyclohexanone, 4-amino-
Cyclohexanone,4-amino
4-Amino-cyclohexanone
4-Aminocyclohexanone (ACI)
4-Aminocyclohexan-1-one

MDL Number

MFCD06659766

Customs Code

2922399090

FAQ

What regulatory guidelines apply to 4-Aminocyclohexanone (CAS: 87976-86-1)?

4-Aminocyclohexanone (CAS: 87976-86-1) falls under the classification of a hazardous chemical. Regulatory guidelines include the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for safe handling. Proper labeling and storage are essential to comply with these regulations.

Are there alternatives to 4-Aminocyclohexanone (CAS: 87976-86-1) in synthesis?

Alternatives to 4-Aminocyclohexanone (CAS: 87976-86-1) include similar cyclic amines like 3-Aminocyclohexanone and other cyclic compounds. These can serve as viable substitutes depending on the specific requirements of the synthesis. Common alternative reagents include cyclohexanone derivatives and other cyclic amines.

What is the market or research trend for 4-Aminocyclohexanone (CAS: 87976-86-1)?

The market for 4-Aminocyclohexanone (CAS: 87976-86-1) is growing due to its use in pharmaceuticals, agrochemicals, and as a building block for producing various organic compounds. Research trends focus on its applications in biocatalysis and as an intermediate in the synthesis of complex molecules. Price trends indicate a steady demand, with fluctuations based on supply and production costs.

How should waste containing 4-Aminocyclohexanone (CAS: 87976-86-1) be handled?

Waste containing 4-Aminocyclohexanone (CAS: 87976-86-1) should be collected in appropriate containers and stored separately. Incineration is a common method of disposal, and professional waste management services should be utilized. Ensure all waste is handled in accordance with local and international regulations to minimize environmental impact and ensure safety.