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1-Acetylpyrrolidine-2-carbaldehyde - ≥95%, high purity , CAS No.115859-55-7

COA

Grade & Purity:

≥95%

Cas Number: 115859-55-7
Molecular Weight: 141.17
PubChem CID: 14079976

In stock

Item Number

A727804

Grouped product items
SKU	Size	Availability	Price
A727804-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$467.90
A727804-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$699.90
A727804-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,749.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass N-acylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	N-acylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	N-acylpyrrolidines
Alternative Parents	Tertiary carboxylic acid amides Acetamides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	N-acylpyrrolidine - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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	1-acetylpyrrolidine-2-carbaldehyde
INCHI	InChI=1S/C7H11NO2/c1-6(10)8-4-2-3-7(8)5-9/h5,7H,2-4H2,1H3
InChIKey	GNYLIUCLHXIEJV-UHFFFAOYSA-N
Smiles	CC(=O)N1CCCC1C=O
Isomeric SMILES	CC(=O)N1CCCC1C=O
PubChem CID	14079976
Molecular Weight	141.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	141.170 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	141.079 Da
Monoisotopic Mass	141.079 Da
Topological Polar Surface Area	37.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	156.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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