Skip to the beginning of the images gallery

2-(Benzylamino)nicotinic acid , CAS No.33522-80-4

COA

Cas Number: 33522-80-4
Molecular Weight: 228.25
PubChem CID: 214596

In stock

Item Number

B169664

Grouped product items
SKU	Size	Availability	Price	Qty
B169664-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
B169664-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$48.90

Discover 2-(Benzylamino)nicotinic acid by Aladdin Scientific in for only $18.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-(Benzylamino)nicotinic acid \| 33522-80-4 \| 2-(benzylamino)pyridine-3-carboxylic acid \| Nicotinic acid, 2-(benzylamino)- \| 2-Benzylamino-nicotinic acid \| S 216 \| BRN 0479775 \| 2-(Benzylamino)nicotinicacid \| 2-benzylaminonicotinic acid \| Oprea1_851394 \| 2-Benzylamino Nicotin
Storage Temp	Room temperature
Shipped In	Normal

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	Pyridinecarboxylic acids Secondary alkylarylamines Aminopyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-benzylaminopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aminopyridine - Secondary aliphatic/aromatic amine - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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
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

Names and Identifiers

IUPAC Name	2-(benzylamino)pyridine-3-carboxylic acid
INCHI	InChI=1S/C13H12N2O2/c16-13(17)11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKey	AHAACQWBYCPTNV-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CNC2=C(C=CC=N2)C(=O)O
Isomeric SMILES	C1=CC=C(C=C1)CNC2=C(C=CC=N2)C(=O)O
Molecular Weight	228.25
Reaxy-Rn	479775
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=479775&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.250 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	228.09 Da
Monoisotopic Mass	228.09 Da
Topological Polar Surface Area	62.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	252.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration