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4-(Methylamino)-1-(3-pyridyl)-1-butanone Dihydrochloride - 95%, high purity , CAS No.66093-90-1

COA

Grade & Purity:

≥95%

Cas Number: 66093-90-1
Molecular Weight: 251.15
PubChem CID: 53412069
PubChem SID: 504771227

In stock

Item Number

M406556

Grouped product items
SKU	Size	Availability	Price
M406556-100mg	100mg	3	$320.90
M406556-250mg	250mg	3	$543.90
M406556-1g	1g	3	$1,470.90

Basic Description

Synonyms	66093-90-1 \| 4-(METHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE DIHYDROCHLORIDE \| 4-(methylamino)-1-(pyridin-3-yl)butan-1-one dihydrochloride \| 4-(methylamino)-1-pyridin-3-ylbutan-1-one;dihydrochloride \| 4-(Methylamino)-1-(pyridin-3-yl)-butan-1-one dihydrochloride \| Pseudoox
Specifications & Purity	≥95%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application An amino ketone metabolite of nicotine, and precursor to NNK

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Pyridines and derivatives Gamma-amino ketones Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Gamma-aminoketone - Pyridine - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Names and Identifiers

Pubchem Sid	504771227
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771227
IUPAC Name	4-(methylamino)-1-pyridin-3-ylbutan-1-one;dihydrochloride
INCHI	InChI=1S/C10H14N2O.2ClH/c1-11-6-3-5-10(13)9-4-2-7-12-8-9;;/h2,4,7-8,11H,3,5-6H2,1H3;2*1H
InChIKey	MFQNPOXUAKSUPV-UHFFFAOYSA-N
Smiles	CNCCCC(=O)C1=CN=CC=C1.Cl.Cl
Isomeric SMILES	CNCCCC(=O)C1=CN=CC=C1.Cl.Cl
PubChem CID	53412069
Molecular Weight	251.15

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
F2205339	Certificate of Analysis	Feb 28, 2022	M406556
F2205331	Certificate of Analysis	Feb 28, 2022	M406556
F2205335	Certificate of Analysis	Feb 28, 2022	M406556

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Melt Point(°C)	>150°C
Molecular Weight	251.150 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	250.064 Da
Monoisotopic Mass	250.064 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	159.000
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	3

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