Name: (5-methoxypyridin-3-yl)methanamine - ≥97% , CAS No.1044919-31-4
Brand: Aladdin Scientific
SKU: M171805
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Alkyl aryl ethers
Alternative Parents	Aralkylamines Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aralkylamine - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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	138.170 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	138.079 Da
Monoisotopic Mass	138.079 Da
Topological Polar Surface Area	48.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.600
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	COC1=CN=CC(=C1)CN
IUPAC Name	(5-methoxypyridin-3-yl)methanamine
InChIKey	HODRJLWIXVIVOC-UHFFFAOYSA-N
INCHI	1S/C7H10N2O/c1-10-7-2-6(3-8)4-9-5-7/h2,4-5H,3,8H2,1H3
Isómeros SMILES	COC1=CN=CC(=C1)CN
Peso molecular	138.17
Reaxy-Rn	29449373
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29449373&ln=

(5-methoxypyridin-3-yl)methanamine - ≥97% , CAS No.1044919-31-4

Specifications