4-(2-Methoxy-4-methylphenoxy)piperidine - ≥97% , CAS No.883543-21-3

CAS: 883543-21-3 Cat. No.: M1058792 Summenformel: C13H20ClNO2 Molekulargewicht: 257.76 EG-Nummer: 677-218-3 PubChem CID: 17178055

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC1=CC(=C(C=C1)OC2CCNCC2)OC

IUPAC Name

4-(2-methoxy-4-methylphenoxy)piperidine

InChIKey

JMADJKCDERWWSF-UHFFFAOYSA-N

INCHI

1S/C13H19NO2/c1-10-3-4-12(13(9-10)15-2)16-11-5-7-14-8-6-11/h3-4,9,11,14H,5-8H2,1-2H3

Isomere SMILES

CC1=CC(=C(C=C1)OC2CCNCC2)OC

PubChem CID

17178055

Molekulargewicht

257.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Toluenes Alkyl aryl ethers Piperidines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Piperidine - Secondary amine - Ether - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 221.290 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.142 Da
• Monoisotopic Mass: 221.142 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 204.000
• 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