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

Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488182819
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182819
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC=C(C=C1)CNC2=CC=CC=N2
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

MCF7 (126967 Activities)

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PC-3 (62116 Activities)

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HeLa (62764 Activities)

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FABP1 Tchem Fatty acid-binding protein, liver (14 Activities)

Discover Target: FABP1

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Associated Targets(non-human)

Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Enterococcus faecalis (29875 Activities)

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L929 (3802 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 153 ℃
• Flash Point(°C): 153 ℃
• Boil Point(°C): 182°C/12mmHg(lit.)
• Melt Point(°C): 93-97℃
• Molecular Weight: 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