2-Morpholin-4-ylnicotinonitrile , CAS No.59025-37-5

CAS: 59025-37-5 Cat. No.: M171108 Fórmula: C₁₀H₁₁N₃O Peso molecular: 189.21 Número CE: 809-260-7

Synonyms

2-morpholinonicotinonitrile|59025-37-5|2-Morpholino-3-cyanopyridine|2-morpholin-4-ylnicotinonitrile|2-(morpholin-4-yl)pyridine-3-carbonitrile|2-morpholin-4-ylpyridine-3-carbonitrile|2-(4-morpholinyl)nicotinonitrile|F9995-0337|SCHEMBL3357016|DTXSID70377170

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-morpholinonicotinonitrile | 59025-37-5 | 2-Morpholino-3-cyanopyridine | 2-morpholin-4-ylnicotinonitrile | 2-(morpholin-4-yl)pyridine-3-carbonitrile | 2-morpholin-4-ylpyridine-3-carbonitrile | 2-(4-morpholinyl)nicotinonitrile | F9995-0337 | SCHEMBL3357016 | DTXSID70377170

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

C1COCCN1C2=C(C=CC=N2)C#N

IUPAC Name

2-morpholin-4-ylpyridine-3-carbonitrile

InChIKey

QCXHZQXRAOOEQL-UHFFFAOYSA-N

INCHI

1S/C10H11N3O/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-7H2

SMILES isoméricas

C1COCCN1C2=C(C=CC=N2)C#N

Peso molecular

189.21

Reaxy-Rn

1114395

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1114395&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass 3-pyridinecarbonitriles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: 3-pyridinecarbonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-pyridinecarbonitriles
• Alternative Parents: Dialkylarylamines Aminopyridines and derivatives Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - 3-pyridinecarbonitrile - Aminopyridine - Morpholine - Oxazinane - Imidolactam - Heteroaromatic compound - Oxacycle - Nitrile - Carbonitrile - Ether - Dialkyl ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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

Propriedades químicas e físicas

• Peso molecular: 189.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.09 Da
• Monoisotopic Mass: 189.09 Da
• Topological Polar Surface Area: 49.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 229.000
• 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

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 59025-37-5, the molecular formula is C10H11N3O, and the molecular weight is 189.21 g/mol. InChIKey QCXHZQXRAOOEQL-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.