3-cloro-4-(4-metilpiperazin-1-il)bencenamina - ≥98% , CAS No.16154-72-6

CAS: 16154-72-6 Cat. No.: C191267 Peso molecular: 225.72 Número EC: 676-360-3

GRADE & PURITY ≥98%

Synonyms

Oprea1_432991 | 3-cloro-4-(4-metilpiperazin-1-il)bencenamina | MFCD01951505 | bencenamina, 3-cloro-4-(4-metil-1-piperazinil)- | 3-cloro-4-(4-metilpiperazin-1-il)anilina | 3-cloro-4-(4-metilpiperazin-1-il)-fenilamina | Oprea1_301251

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

Oprea1_432991 | 3-cloro-4-(4-metilpiperazin-1-il)bencenamina | MFCD01951505 | bencenamina, 3-cloro-4-(4-metil-1-piperazinil)- | 3-cloro-4-(4-metilpiperazin-1-il)anilina | 3-cloro-4-(4-metilpiperazin-1-il)-fenilamina | Oprea1_301251

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)C2=C(C=C(C=C2)N)Cl
• IUPAC Name: 3-chloro-4-(4-methylpiperazin-1-yl)aniline
• InChIKey: LOCKPKWGFIBYLB-UHFFFAOYSA-N
• INCHI: 1S/C11H16ClN3/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3
• Isómeros SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)N)Cl
• Peso molecular: 225.72
• Reaxy-Rn: 791478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=791478&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: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Chlorobenzenes Aryl chlorides Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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

• Sensibilidad: light sensitive
• Peso molecular: 225.720 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.103 Da
• Monoisotopic Mass: 225.103 Da
• Topological Polar Surface Area: 32.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 204.000
• 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