2-Benzylaminopyridine - ≥98%(GC) , CAS No.6935-27-9

CAS: 6935-27-9 Cat. No.: B152133 Formule: C₁₂H₁₂N₂ Poids moléculaire: 184.24 Numéro CE: 230-060-5

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-15570 | Enamine_005854 | Z31196921 | AC-5949 | NSC59833 | NSC-59833 | 2-Pyridinamine, N-(phenylmethyl)- | AKOS000120341 | DTXSID9064508 | Pyridine, 2-(benzylamino)- | STK144786 | CDS1_003492 | NSC 59833 | HMS1410K02 | SY049216 | 2-Benzylaminopyridin

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

2-Benzylaminopyridine on reaction with BBr3 yields the corresponding amino or hydroxy substituted compounds.It forms 5- and 6-coordinated organometallic complexes of gallium(III) and indium(III).

Specifications

Synonymes

EN300-15570 | Enamine_005854 | Z31196921 | AC-5949 | NSC59833 | NSC-59833 | 2-Pyridinamine, N-(phenylmethyl)- | AKOS000120341 | DTXSID9064508 | Pyridine, 2-(benzylamino)- | STK144786 | CDS1_003492 | NSC 59833 | HMS1410K02 | SY049216 | 2-Benzylaminopyridin

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488182819

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182819

Sourires canoniques

C1=CC=C(C=C1)CNC2=CC=CC=N2

IUPAC Name

N-benzylpyridin-2-amine

InChIKey

WYHXNQXDQQMTQI-UHFFFAOYSA-N

INCHI

1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)

Isomères SMILES

C1=CC=C(C=C1)CNC2=CC=CC=N2

WGK Allemagne

3

Poids moléculaire

184.24

Reaxy-Rn

134309

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=134309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzylaminopyridines
• Alternative Parents: Secondary alkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-benzylaminopyridine - Secondary aliphatic/aromatic amine - Aminopyridine - Imidolactam - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): 153 ℃
• Point d'éclair (°C): 153 ℃
• Point d'ébullition (°C): 182°C/12mmHg(lit.)
• Point de fusion (°C): 93-97℃
• Poids moléculaire: 184.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.1 Da
• Monoisotopic Mass: 184.1 Da
• Topological Polar Surface Area: 24.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 152.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 6935-27-9, the molecular formula is C12H12N2, and the molecular weight is 184.24 g/mol. InChIKey WYHXNQXDQQMTQI-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.