Name: Methyl 5-(dimethylamino)nicotinate - ≥95% , CAS No.29898-23-5
Brand: Aladdin Scientific
SKU: M183510
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Dialkylarylamines Aminopyridines and derivatives Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	180.200 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	180.09 Da
Monoisotopic Mass	180.09 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182.000
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CN(C)C1=CN=CC(=C1)C(=O)OC
IUPAC Name	methyl 5-(dimethylamino)pyridine-3-carboxylate
InChIKey	UZBCZKOYJMGKCW-UHFFFAOYSA-N
INCHI	1S/C9H12N2O2/c1-11(2)8-4-7(5-10-6-8)9(12)13-3/h4-6H,1-3H3
Isómeros SMILES	CN(C)C1=CN=CC(=C1)C(=O)OC
Peso molecular	180.2
Reaxy-Rn	474238
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=474238&ln=

Methyl 5-(dimethylamino)nicotinate - ≥95% , CAS No.29898-23-5

Specifications