N-(2,2-diethoxyethyl)cyclohexanamine , CAS No.100387-19-7

CAS: 100387-19-7 Cat. No.: N970866 PubChem CID: 13816363

Storage

Room temperature

Specifications

Storage

Room temperature

Namen und Kennungen

• Kanonisches Lächeln: CCOC(CNC1CCCCC1)OCC
• IUPAC Name: N-(2,2-diethoxyethyl)cyclohexanamine
• InChIKey: VJKUEKNKFQMEPX-UHFFFAOYSA-N
• INCHI: 1S/C12H25NO2/c1-3-14-12(15-4-2)10-13-11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3
• Isomere SMILES: CCOC(CNC1CCCCC1)OCC
• PubChem CID: 13816363

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Dialkylamines Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Secondary amine - Secondary aliphatic amine - Acetal - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 215.330 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 215.189 Da
• Monoisotopic Mass: 215.189 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 141.000
• 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

Häufig gestellte Fragen

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

The CAS Number is 100387-19-7. InChIKey VJKUEKNKFQMEPX-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

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.