6-Chloro-2-morpholinopyrimidin-4-amine - ≥95% , CAS No.3549-05-1

CAS: 3549-05-1 Cat. No.: C588850 Peso molecular: 214.65

GRADE & PURITY ≥95%

Synonyms

CAPWCRRKZOKFTE-UHFFFAOYSA-N | D97561 | 4-amino-6-chloro-2-morpholinopyrimidine | SCHEMBL244109 | 6-Chloro-2-(morpholin-4-yl)pyrimidin-4-amine | BS-37849 | 6-CHLORO-2-(4-MORPHOLINYL)-4-PYRIMIDINAMINE | 6-Chloro-2-morpholinopyrimidin-4-amine | AKOS006339869

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

CAPWCRRKZOKFTE-UHFFFAOYSA-N | D97561 | 4-amino-6-chloro-2-morpholinopyrimidine | SCHEMBL244109 | 6-Chloro-2-(morpholin-4-yl)pyrimidin-4-amine | BS-37849 | 6-CHLORO-2-(4-MORPHOLINYL)-4-PYRIMIDINAMINE | 6-Chloro-2-morpholinopyrimidin-4-amine | AKOS006339869

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: C1COCCN1C2=NC(=CC(=N2)Cl)N
• IUPAC Name: 6-chloro-2-morpholin-4-ylpyrimidin-4-amine
• InChIKey: CAPWCRRKZOKFTE-UHFFFAOYSA-N
• INCHI: 1S/C8H11ClN4O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
• Isómeros SMILES: C1COCCN1C2=NC(=CC(=N2)Cl)N
• Peso molecular: 214.65
• Reaxy-Rn: 526597
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=526597&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Halopyrimidines Aminopyrimidines and derivatives Morpholines Imidolactams Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Dialkyl ether - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Primary amine - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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: 214.650 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 214.062 Da
• Monoisotopic Mass: 214.062 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 188.000
• 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