4-(4-Methylpiperazino)-1,2-benzenediamine - ≥95% , CAS No.54998-08-2

CAS: 54998-08-2 Cat. No.: B700568 Peso molecular: 206.29 PubChem CID: 2763545

GRADE & PURITY ≥95%

Synonyms

4-(4-Methylpiperazin-1-yl)benzene-1,2-diamine | 4-(4-Methylpiperazino)-1,2-benzenediamine | 4-(4-Methylpiperazino)-1,2-benzenediamine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-(4-Methylpiperazin-1-yl)benzene-1, 2-diamine | 4-(4-Methylpiperazino)-1, 2-benzenediamine | 4-(4-Methylpiperazino)-1, 2-benzenediamine

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)C2=CC(=C(C=C2)N)N
• IUPAC Name: 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine
• InChIKey: RTDKAEOVZXYWJW-UHFFFAOYSA-N
• INCHI: 1S/C11H18N4/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3
• Isómeros SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)N)N
• PubChem CID: 2763545
• Peso molecular: 206.29

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: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Amine - Primary amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

Propiedades químicas y físicas

• Punto de fusión (°C): 118-120°
• Peso molecular: 206.290 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.153 Da
• Monoisotopic Mass: 206.153 Da
• Topological Polar Surface Area: 58.500 Ų
• Heavy Atom Count: 15
• 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