4-Morpholinopyridin-3-amine - ≥95% , CAS No.90648-26-3

CAS: 90648-26-3 Cat. No.: M708481 Fórmula: C₉H₁₃N₃O Peso molecular: 179.22 Número CE: 878-169-2 PubChem CID: 3060378

GRAU & PUREZA ≥95%

Storage

Room temperature

Especificações

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Propriedades do produto

ALogP

-0.1

Nomes e identificadores

Sorrisos canónicos

C1COCCN1C2=C(C=NC=C2)N

IUPAC Name

4-morpholin-4-ylpyridin-3-amine

InChIKey

QSJJDPGQZUUPSZ-UHFFFAOYSA-N

INCHI

1S/C9H13N3O/c10-8-7-11-2-1-9(8)12-3-5-13-6-4-12/h1-2,7H,3-6,10H2

SMILES isoméricas

C1COCCN1C2=C(C=NC=C2)N

PubChem CID

3060378

Peso molecular

179.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives Morpholines Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - Morpholine - Oxazinane - Pyridine - Heteroaromatic compound - Organoheterocyclic compound - Dialkyl ether - Ether - Azacycle - Oxacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 179.220 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 179.106 Da
• Monoisotopic Mass: 179.106 Da
• Topological Polar Surface Area: 51.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 90648-26-3, the molecular formula is C9H13N3O, and the molecular weight is 179.22 g/mol. InChIKey QSJJDPGQZUUPSZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.