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(5S)-5-isopropylpyrrolidin-2-one - 97%, high purity , CAS No.139564-41-3

COA

Grade & Purity:

≥97%

Cas Number: 139564-41-3
Molecular Weight: 127.18
EC Number: 839-705-0
PubChem CID: 13082303

In stock

Item Number

I628898

Grouped product items
SKU	Size	Availability	Price
I628898-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90
I628898-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$605.90
I628898-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,108.90

Basic Description

Synonyms	AT19193 \| SCHEMBL14749809 \| (5S)-5-(Propan-2-yl)pyrrolidin-2-one \| AKOS006359613 \| (5S)-5-propan-2-ylpyrrolidin-2-one \| 2-Pyrrolidinone, 5-(1-methylethyl)-, (5S)- \| PS-18618 \| (5S)-5-isopropylpyrrolidin-2-one \| (r,s)-5-isopropyl-pyrrolidin-2-one \| (5S)-5-
Specifications & Purity	≥97%
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 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 - 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

IUPAC Name	(5S)-5-propan-2-ylpyrrolidin-2-one
INCHI	InChI=1S/C7H13NO/c1-5(2)6-3-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKey	IASLVFGXHJQWAB-LURJTMIESA-N
Smiles	CC(C)C1CCC(=O)N1
Isomeric SMILES	CC(C)[C@@H]1CCC(=O)N1
Alternate CAS	139564-41-3
PubChem CID	13082303
Molecular Weight	127.18

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	65°C
Molecular Weight	127.180 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	127.1 Da
Monoisotopic Mass	127.1 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	120.000
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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