4-(Dimethylamino)cyclohexanone - ≥98% , CAS No.40594-34-1

CAS: 40594-34-1 Cat. No.: D193273 Formula: C₈H₁₅NO Molecular Weight: 141.21 EC Number: 838-681-9

GRADE & PURITY ≥98%

Synonyms

EN300-156369 | DIISOPROPYLPHOSPHORAMIDOUSDICHLORIDE | DTXSID00438804 | GS-3735 | SY017445 | MFCD09037892 | 4-dimethylamino-1-cyclohexanone | 4-Dimethylaminocyclohexanone | 4-Dimethylamino-cyclohexanone | AC-33805 | A6784 | AKOS006332098 | J-513726 | LMBFU

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

EN300-156369 | DIISOPROPYLPHOSPHORAMIDOUSDICHLORIDE | DTXSID00438804 | GS-3735 | SY017445 | MFCD09037892 | 4-dimethylamino-1-cyclohexanone | 4-Dimethylaminocyclohexanone | 4-Dimethylamino-cyclohexanone | AC-33805 | A6784 | AKOS006332098 | J-513726 | LMBFU

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)C1CCC(=O)CC1
• IUPAC Name: 4-(dimethylamino)cyclohexan-1-one
• InChIKey: LMBFUMXVHAJSNJ-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO/c1-9(2)7-3-5-8(10)6-4-7/h7H,3-6H2,1-2H3
• Isomeric SMILES: CN(C)C1CCC(=O)CC1
• Molecular Weight: 141.21
• Reaxy-Rn: 471378
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471378&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Cyclic ketones Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Tertiary aliphatic amine - Ketone - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 141.210 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.115 Da
• Monoisotopic Mass: 141.115 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 40594-34-1, the molecular formula is C8H15NO, and the molecular weight is 141.21 g/mol. InChIKey LMBFUMXVHAJSNJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.