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4(1H)-Pyridinone， 2-(aminomethyl)-1，6-dimethyl-3-(phenylmethoxy)- - ≥95%, high purity , CAS No.401792-02-7

COA

Grade & Purity:

≥95%

Cas Number: 401792-02-7
Molecular Weight: 258.32
MDL number: MFCD14551484
PubChem CID: 11139785

In stock

Item Number

P769643

Grouped product items
SKU	Size	Availability	Price
P769643-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,040.90
P769643-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,080.90
P769643-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,200.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass 2-pyridylmethylamines

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	Methylpyridines Dihydropyridines Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	6-substituted-2-pyridinylmethylamine - Alkyl aryl ether - Dihydropyridine - Methylpyridine - Aralkylamine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Ether - Azacycle - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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
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

Names and Identifiers

IUPAC Name	2-(aminomethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one
INCHI	InChI=1S/C15H18N2O2/c1-11-8-14(18)15(13(9-16)17(11)2)19-10-12-6-4-3-5-7-12/h3-8H,9-10,16H2,1-2H3
InChIKey	YWDKTOKVJMCHGW-UHFFFAOYSA-N
Smiles	CC1=CC(=O)C(=C(N1C)CN)OCC2=CC=CC=C2
Isomeric SMILES	CC1=CC(=O)C(=C(N1C)CN)OCC2=CC=CC=C2
PubChem CID	11139785
Molecular Weight	258.32

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	258.320 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	258.137 Da
Monoisotopic Mass	258.137 Da
Topological Polar Surface Area	55.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	406.000
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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