2-(Ethylamino)-3-cyanopyridine - ≥98% , CAS No.52583-89-8

CAS: 52583-89-8 Cat. No.: E184977 Formula: C₈H₉N₃ Peso molecolare: 147.2

GRADE & PURITY ≥98%

Synonyms

2-(ethylamino)pyridine-3-carbonitrile | GPDBAOOTLKONEG-UHFFFAOYSA-N | MFCD09935524 | DTXSID00574832 | D74896 | 2-(ethylamino)nicotinonitrile;2-(Ethylamino)-3-cyanopyridine;2-(Ethylamino)-3-pyridinecarbonitrile | SB75563 | 2-(ETHYLAMINO)-3-CYANOPYRIDINE |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-(ethylamino)pyridine-3-carbonitrile | GPDBAOOTLKONEG-UHFFFAOYSA-N | MFCD09935524 | DTXSID00574832 | D74896 | 2-(ethylamino)nicotinonitrile;2-(Ethylamino)-3-cyanopyridine;2-(Ethylamino)-3-pyridinecarbonitrile | SB75563 | 2-(ETHYLAMINO)-3-CYANOPYRIDINE |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCNC1=C(C=CC=N1)C#N
• IUPAC Name: 2-(ethylamino)pyridine-3-carbonitrile
• InChIKey: GPDBAOOTLKONEG-UHFFFAOYSA-N
• INCHI: 1S/C8H9N3/c1-2-10-8-7(6-9)4-3-5-11-8/h3-5H,2H2,1H3,(H,10,11)
• Isomeri SMILES: CCNC1=C(C=CC=N1)C#N
• Peso molecolare: 147.2
• Reaxy-Rn: 388878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388878&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: Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridinecarbonitrile - Aminopyridine - Imidolactam - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 147.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 147.08 Da
• Monoisotopic Mass: 147.08 Da
• Topological Polar Surface Area: 48.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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 52583-89-8, the molecular formula is C8H9N3, and the molecular weight is 147.2 g/mol. InChIKey GPDBAOOTLKONEG-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.