4-methoxy-N-methylcyclohexan-1-amine hydrochloride - ≥95% , CAS No.1311315-59-9

CAS: 1311315-59-9 Cat. No.: M931604 Formula: C₈H₁₇NO.HCl Peso molecolare: 179.68 Numero EC: 859-293-6 PubChem CID: 54593058

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CNC1CCC(CC1)OC.Cl
• IUPAC Name: 4-methoxy-N-methylcyclohexan-1-amine;hydrochloride
• InChIKey: VSUFVISYKAHGKZ-UHFFFAOYSA-N
• INCHI: 1S/C8H17NO.ClH/c1-9-7-3-5-8(10-2)6-4-7;/h7-9H,3-6H2,1-2H3;1H
• Isomeri SMILES: CNC1CCC(CC1)OC.Cl
• PubChem CID: 54593058
• Peso molecolare: 179.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Dialkyl ethers Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ether - Secondary aliphatic amine - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two 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

Proprietà chimiche e fisiche

• Peso molecolare: 179.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.108 Da
• Monoisotopic Mass: 179.108 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 87.300
• 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: 2

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1311315-59-9, the molecular formula is C8H17NO.HCl, and the molecular weight is 179.68 g/mol. InChIKey VSUFVISYKAHGKZ-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.