Cyclohexanamine, 2-(1-piperidinyl)-, (1S,2S)- - ≥95% , CAS No.824938-98-9

CAS: 824938-98-9 Cat. No.: C1298694 Summenformel: C₁₁H₂₂N₂ Molekulargewicht: 182.3 PubChem CID: 12156312

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1CCN(CC1)C2CCCCC2N
• IUPAC Name: (1S,2S)-2-piperidin-1-ylcyclohexan-1-amine
• InChIKey: QHFKXCGYRHKLNG-QWRGUYRKSA-N
• INCHI: 1S/C11H22N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h10-11H,1-9,12H2/t10-,11-/m0/s1
• Isomere SMILES: C1CCN(CC1)[C@H]2CCCC[C@@H]2N
• PubChem CID: 12156312
• Molekulargewicht: 182.3

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: Piperidines Trialkylamines Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Cyclohexylamine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic 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: 182.310 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 182.178 Da
• Monoisotopic Mass: 182.178 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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