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4,4-Dimethylpyrrolidin-2-one - 97%, high purity , CAS No.66899-02-3

COA

Grade & Purity:

≥97%

Cas Number: 66899-02-3
Molecular Weight: 113.16
PubChem CID: 637593
PubChem SID: 488190847

In stock

Item Number

D194493

Grouped product items
SKU	Size	Availability	Price
D194493-250mg	250mg	4	$119.90
D194493-1g	1g	4	$328.90
D194493-5g	5g	1	$1,479.90

Discover 4,4-Dimethylpyrrolidin-2-one by Aladdin Scientific in 97% for only $119.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	MB-0820 \| HGVPKAGCVCGRDQ-UHFFFAOYSA-N \| 4,4-dimethyl-2-pyrrolidone \| 4,4-dimethyl-pyrrolidin-2-one \| 4,4-dimethylpyrrolidin-2-one \| CS-M3328 \| SCHEMBL248285 \| DTXSID70348461 \| A23044 \| InChI=1/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8 \| SY015235 \| MF
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidones
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine-2-ones
Alternative Parents	Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-pyrrolidone - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
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	488190847
IUPAC Name	4,4-dimethylpyrrolidin-2-one
INCHI	InChI=1S/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8)
InChIKey	HGVPKAGCVCGRDQ-UHFFFAOYSA-N
Smiles	CC1(CC(=O)NC1)C
Isomeric SMILES	CC1(CC(=O)NC1)C
Molecular Weight	113.16
Reaxy-Rn	107180
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107180&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D23261395	Certificate of Analysis	Apr 12, 2023	D194493
D23261391	Certificate of Analysis	Apr 12, 2023	D194493
D23261388	Certificate of Analysis	Apr 12, 2023	D194493
D23261382	Certificate of Analysis	Apr 12, 2023	D194493
D23261392	Certificate of Analysis	Apr 12, 2023	D194493
D23261397	Certificate of Analysis	Apr 12, 2023	D194493

Chemical and Physical Properties

Sensitivity	air sensitive
Melt Point(°C)	38-40°C
Molecular Weight	113.160 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	113.084 Da
Monoisotopic Mass	113.084 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	118.000
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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