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(5-methoxypyridin-3-yl)methanamine - 97%, high purity , CAS No.1044919-31-4
Basic Description
Synonyms
(5-METHOXYPYRIDIN-3-YL)METHANAMINE | 1044919-31-4 | 3-(AMINOMETHYL)-5-METHOXYPYRIDINE | MFCD13189000 | SCHEMBL2681872 | HODRJLWIXVIVOC-UHFFFAOYSA-N | AKOS017514876 | PB36726 | SB19962 | AS-34333 | SY042262 | CS-0053144 | EN300-262126 | A856142
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
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
Description
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
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-methoxypyridin-3-yl)methanamine
INCHI
InChI=1S/C7H10N2O/c1-10-7-2-6(3-8)4-9-5-7/h2,4-5H,3,8H2,1H3
InChIKey
HODRJLWIXVIVOC-UHFFFAOYSA-N
Smiles
COC1=CN=CC(=C1)CN
Isomeric SMILES
COC1=CN=CC(=C1)CN
Molecular Weight
138.17
Reaxy-Rn
29449373
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29449373&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
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 Ų
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
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