[2-(4-Methylpiperazin-1-yl)pyridin-3-yl]methanamine - ≥98% , CAS No.953748-71-5

CAS: 953748-71-5 Cat. No.: M1059085 Peso molecular: 206.290 Número EC: 899-904-3

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)C2=C(C=CC=N2)CN
• IUPAC Name: [2-(4-methylpiperazin-1-yl)pyridin-3-yl]methanamine
• InChIKey: LUCQKISFLSLQBI-UHFFFAOYSA-N
• INCHI: 1S/C11H18N4/c1-14-5-7-15(8-6-14)11-10(9-12)3-2-4-13-11/h2-4H,5-9,12H2,1H3
• Peso molecular: 206.290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines N-methylpiperazines Aralkylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Imidolactam - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Amine - Organic nitrogen compound - Primary amine - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 206.290 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.153 Da
• Monoisotopic Mass: 206.153 Da
• Topological Polar Surface Area: 45.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• 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