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3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,4-dione - 97%, high purity , CAS No.145704-80-9

COA

Grade & Purity:

≥97%

Cas Number: 145704-80-9
Molecular Weight: 231.3
PubChem CID: 15284546

In stock

Item Number

D629320

Grouped product items
SKU	Size	Availability	Price
D629320-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90
D629320-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$247.90
D629320-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$413.90
D629320-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$619.90
D629320-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,101.90

Basic Description

Synonyms	145704-80-9 \| 3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,4-dione \| (R)-3,3-Dimethyl-1-(1-phenylethyl)pyrrolidine-2,4-dione \| 3,3-dimethyl-1-((1r)-1-phenylethyl)pyrrolidine-2,4-dione \| SCHEMBL3190794 \| AMY34793 \| VFA70480 \| MFCD28502357 \| AS-52374 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Lactams Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Cyclic ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,4-dione
INCHI	InChI=1S/C14H17NO2/c1-10(11-7-5-4-6-8-11)15-9-12(16)14(2,3)13(15)17/h4-8,10H,9H2,1-3H3/t10-/m1/s1
InChIKey	ADMUDBDDWUZHPO-SNVBAGLBSA-N
Smiles	CC(C1=CC=CC=C1)N2CC(=O)C(C2=O)(C)C
Isomeric SMILES	C[C@H](C1=CC=CC=C1)N2CC(=O)C(C2=O)(C)C
PubChem CID	15284546
Molecular Weight	231.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.290 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	231.126 Da
Monoisotopic Mass	231.126 Da
Topological Polar Surface Area	37.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	329.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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