N-(2-Piperazino-acetyl)-N-methylaniline - ≥95% , CAS No.318280-95-4

CAS: 318280-95-4 Cat. No.: N300748 Peso molecular: 233.315 Número EC: 671-464-5

GRADE & PURITY ≥95%

Synonyms

2-(piperazin-1-yl)-acetic acid n-methyl-n-phenyl-amide | FS-1239 | 2-(piperazin-1-yl)acet-n-methyl-n-phenylamide | IAZRIFOHJXNFPA-UHFFFAOYSA-N | piperazinoacetic acid-n-methylanilide | N-Methyl-N-phenyl-2-piperazin-1-ylacetamide, AldrichCPR | N-[2-(pipera

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(piperazin-1-yl)-acetic acid n-methyl-n-phenyl-amide | FS-1239 | 2-(piperazin-1-yl)acet-n-methyl-n-phenylamide | IAZRIFOHJXNFPA-UHFFFAOYSA-N | piperazinoacetic acid-n-methylanilide | N-Methyl-N-phenyl-2-piperazin-1-ylacetamide, AldrichCPR | N-[2-(pipera

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN(C1=CC=CC=C1)C(=O)CN2CCNCC2
• IUPAC Name: N-methyl-N-phenyl-2-piperazin-1-ylacetamide
• InChIKey: IAZRIFOHJXNFPA-UHFFFAOYSA-N
• INCHI: 1S/C13H19N3O/c1-15(12-5-3-2-4-6-12)13(17)11-16-9-7-14-8-10-16/h2-6,14H,7-11H2,1H3
• Isómeros SMILES: CN(C1=CC=CC=C1)C(=O)CN2CCNCC2
• Peso molecular: 233.315
• Reaxy-Rn: 11293356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11293356&ln=

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: N-piperazineacetamides
• Alternative Parents: Alpha amino acids and derivatives Anilides N-alkylpiperazines Tertiary carboxylic acid amides Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-piperazineacetamide - Anilide - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-piperazineacetamides. These are heterocyclic compounds containing a piperazine ring, which N-substituted with an acetamide 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

Propiedades químicas y físicas

• Peso molecular: 233.310 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.153 Da
• Monoisotopic Mass: 233.153 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 245.000
• 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