Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Pyridines and derivatives
Subclass	Aminopyridines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Aminopyridines and derivatives
Alternative Parents	Primary aromatic amines Imidolactams Heteroaromatic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminopyridine - Imidolactam - Primary aromatic amine - Heteroaromatic compound - Azacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
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)

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Analytical Chart:

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1 results found

Lot Number	Certificate Type	Fecha	Articulo
J2228182	Certificate of Analysis	Aug 11, 2025	A178035

Propiedades químicas y físicas

Sensibilidad	Hygroscopic
Peso molecular	168.190 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	168.09 Da
Monoisotopic Mass	168.09 Da
Topological Polar Surface Area	57.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	128.000
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

Pubchem Sid	504771239
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771239
Sonrisas canónicas	COC(C1=CC(=NC=C1)N)OC
IUPAC Name	4-(dimethoxymethyl)pyridin-2-amine
InChIKey	HZMHMFZUVDVMMP-UHFFFAOYSA-N
INCHI	1S/C8H12N2O2/c1-11-8(12-2)6-3-4-10-7(9)5-6/h3-5,8H,1-2H3,(H2,9,10)
Isómeros SMILES	COC(C1=CC(=NC=C1)N)OC
Peso molecular	168.196
Reaxy-Rn	18469409
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18469409&ln=

2-amino-4-carbaldehyde dimethylacetal - ≥97% , CAS No.889945-19-1

Specifications