6-Chloro-N-methylpyrimidin-4-amine - ≥97% , CAS No.65766-32-7

CAS: 65766-32-7 Cat. No.: C194437 Peso molecular: 143.57 Número EC: 664-319-2

GRADE & PURITY ≥97%

Synonyms

(6-chloro-pyrimidin-4-yl)-methyl-amine | 6-chloro-n-methylpyrimidine-4-amine | UNII-K3I8AN6S7F | 4-CHLORO-6-METHYLAMINOPYRIMIDINE | SCHEMBL21191977 | 6-chloranyl-N-methyl-pyrimidin-4-amine | DS-0492 | AC-24260 | SY029019 | 4-Pyrimidinamine, 6-chloro-N-met

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(6-chloro-pyrimidin-4-yl)-methyl-amine | 6-chloro-n-methylpyrimidine-4-amine | UNII-K3I8AN6S7F | 4-CHLORO-6-METHYLAMINOPYRIMIDINE | SCHEMBL21191977 | 6-chloranyl-N-methyl-pyrimidin-4-amine | DS-0492 | AC-24260 | SY029019 | 4-Pyrimidinamine, 6-chloro-N-met

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504758425
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758425
• Sonrisas canónicas: CNC1=CC(=NC=N1)Cl
• IUPAC Name: 6-chloro-N-methylpyrimidin-4-amine
• InChIKey: WZVLJUBTIWFTIE-UHFFFAOYSA-N
• INCHI: 1S/C5H6ClN3/c1-7-5-2-4(6)8-3-9-5/h2-3H,1H3,(H,7,8,9)
• Isómeros SMILES: CNC1=CC(=NC=N1)Cl
• WGK Alemania: 3
• Peso molecular: 143.57
• Reaxy-Rn: 118274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118274&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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: heat sensitive;light sensitive
• Punto de fusión (°C): 138-142 °C
• Peso molecular: 143.570 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.025 Da
• Monoisotopic Mass: 143.025 Da
• Topological Polar Surface Area: 37.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 88.300
• 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