1-(4-Aminophenyl)-N，N-dimethylpiperidin-4-amine - ≥98% , CAS No.211247-62-0

CAS: 211247-62-0 Cat. No.: N725178 EC Number: 857-516-1 PubChem CID: 10889414

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)C1CCN(CC1)C2=CC=C(C=C2)N
• IUPAC Name: 1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
• InChIKey: PFDUBQQHEHJNQX-UHFFFAOYSA-N
• INCHI: 1S/C13H21N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3-6,12H,7-10,14H2,1-2H3
• Isomeric SMILES: CN(C)C1CCN(CC1)C2=CC=C(C=C2)N
• Alternate CAS: 211247-62-0
• PubChem CID: 10889414

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Aminopiperidines Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 4-aminopiperidine - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

Chemical and Physical Properties

• Molecular Weight: 219.330 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.174 Da
• Monoisotopic Mass: 219.174 Da
• Topological Polar Surface Area: 32.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 201.000
• 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