N-(4-Aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide - ≥98% , CAS No.262368-30-9

CAS: 262368-30-9 Cat. No.: I169131 Peso molecular: 262.35 Número EC: 939-634-6

GRADE & PURITY ≥98%

Synonyms

LBWNQLVDYPNHAV-UHFFFAOYSA-N | SB17827 | MFCD12457658 | SCHEMBL436539 | AC-25030 | AMY532 | N-(4-Aminophenyl)-N-methyl-2-(4-methyl-1-piperazinyl)acetamide | DS-4591 | FT-0743080 | BDBM492925 | BCP08567 | N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

LBWNQLVDYPNHAV-UHFFFAOYSA-N | SB17827 | MFCD12457658 | SCHEMBL436539 | AC-25030 | AMY532 | N-(4-Aminophenyl)-N-methyl-2-(4-methyl-1-piperazinyl)acetamide | DS-4591 | FT-0743080 | BDBM492925 | BCP08567 | N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488199978
• Sonrisas canónicas: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N
• IUPAC Name: N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
• InChIKey: LBWNQLVDYPNHAV-UHFFFAOYSA-N
• INCHI: 1S/C14H22N4O/c1-16-7-9-18(10-8-16)11-14(19)17(2)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3
• Isómeros SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N
• Peso molecular: 262.35
• Reaxy-Rn: 14267972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14267972&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 Aniline and substituted anilines N-methylpiperazines Tertiary carboxylic acid amides Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-piperazineacetamide - Anilide - Aniline or substituted anilines - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Amine - 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: 262.350 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.179 Da
• Monoisotopic Mass: 262.179 Da
• Topological Polar Surface Area: 52.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 294.000
• 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