1-(2-Aminopyrimidin-4-yl)ethanone - ≥97% , CAS No.106157-82-8

CAS: 106157-82-8 Cat. No.: E637390 Peso molecular: 137.14 Número EC: 890-975-6 PubChem CID: 13582270

GRADE & PURITY ≥97%

Synonyms

AKOS006330499 | Ethanone,1-(2-amino-4-pyrimidinyl)- | Z1198219112 | MFCD09263814 | PB23634 | XDKSEDDZHXZRKQ-UHFFFAOYSA-N | TS-01768 | 4-ACETYL-2-AMINOPYRIMIDINE | FT-0657933 | 1-(2-amino-pyrimidin-4-yl)-ethanone | 1-(2-Aminopyrimidin-4-yl)ethanone | 1-(2-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006330499 | Ethanone, 1-(2-amino-4-pyrimidinyl)- | Z1198219112 | MFCD09263814 | PB23634 | XDKSEDDZHXZRKQ-UHFFFAOYSA-N | TS-01768 | 4-ACETYL-2-AMINOPYRIMIDINE | FT-0657933 | 1-(2-amino-pyrimidin-4-yl)-ethanone | 1-(2-Aminopyrimidin-4-yl)ethanone | 1-(2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

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

• Sonrisas canónicas: CC(=O)C1=NC(=NC=C1)N
• IUPAC Name: 1-(2-aminopyrimidin-4-yl)ethanone
• InChIKey: XDKSEDDZHXZRKQ-UHFFFAOYSA-N
• INCHI: 1S/C6H7N3O/c1-4(10)5-2-3-8-6(7)9-5/h2-3H,1H3,(H2,7,8,9)
• Isómeros SMILES: CC(=O)C1=NC(=NC=C1)N
• CAS alternativo: 106157-82-8
• PubChem CID: 13582270
• Peso molecular: 137.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Aminopyrimidines and derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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: 137.140 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 137.059 Da
• Monoisotopic Mass: 137.059 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 137.000
• 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