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(5,6-dimethoxypyridin-2-yl)methanamine - 97%, high purity , CAS No.1112850-40-4
Discover (5,6-dimethoxypyridin-2-yl)methanamine by Aladdin Scientific in 97% for only $4,285.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
(5,6-Dimethoxypyridin-2-yl)methanamine | 1112850-40-4 | 1-(5,6-dimethoxypyridin-2-yl)methanamine | 2,3-dimethoxy-6-aminomethylpyridine | SCHEMBL438335 | DTXSID20726871 | NTAVZWOOCDEXMK-UHFFFAOYSA-N | AKOS015969636 | SB54774 | AS-48444 | CS-0053169 | F31028 | A894754
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
2-pyridylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
6-substituted-2-pyridinylmethylamines
Alternative Parents
Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
6-substituted-2-pyridinylmethylamine - Aralkylamine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 6-substituted-2-pyridinylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine, and at the 6-position with any non-hydrogen atom.
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.
Names and Identifiers
IUPAC Name
(5,6-dimethoxypyridin-2-yl)methanamine
INCHI
InChI=1S/C8H12N2O2/c1-11-7-4-3-6(5-9)10-8(7)12-2/h3-4H,5,9H2,1-2H3
InChIKey
NTAVZWOOCDEXMK-UHFFFAOYSA-N
Smiles
COC1=C(N=C(C=C1)CN)OC
Isomeric SMILES
COC1=C(N=C(C=C1)CN)OC
Molecular Weight
168.1931
Reaxy-Rn
19530493
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19530493&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
168.190 g/mol
XLogP3
0.000
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 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
132.000
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
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