2-Morpholinoisonicotinonitrile - ≥98% , CAS No.127680-91-5

CAS: 127680-91-5 Cat. No.: M728020 Formula: C₁₀H₁₁N₃O Peso molecolare: 189.21 PubChem CID: 14640856

GRADE & PURITY ≥98%

Synonyms

2-MORPHOLIN-4-YLISONICOTINONITRILE | 2-(morpholin-4-yl)pyridine-4-carbonitrile

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-MORPHOLIN-4-YLISONICOTINONITRILE | 2-(morpholin-4-yl)pyridine-4-carbonitrile

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1COCCN1C2=NC=CC(=C2)C#N
• IUPAC Name: 2-morpholin-4-ylpyridine-4-carbonitrile
• InChIKey: ZKBSABVDSSVALF-UHFFFAOYSA-N
• INCHI: 1S/C10H11N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6H2
• Isomeri SMILES: C1COCCN1C2=NC=CC(=C2)C#N
• PubChem CID: 14640856
• Peso molecolare: 189.21

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 Imidolactams Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - Morpholine - Oxazinane - Pyridine - Imidolactam - Heteroaromatic compound - Organoheterocyclic compound - Ether - Dialkyl ether - Nitrile - Carbonitrile - Azacycle - Oxacycle - Cyanide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: 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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 127680-91-5, the molecular formula is C10H11N3O, and the molecular weight is 189.21 g/mol. InChIKey ZKBSABVDSSVALF-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.