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(S)-(3-Hydroxypyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone - ≥95%, high purity , CAS No.1354691-47-6

COA

Grade & Purity:

≥95%

Cas Number: 1354691-47-6
Molecular Weight: 199.25
PubChem CID: 66577083

In stock

Item Number

M734582

Grouped product items
SKU	Size	Availability	Price	Qty
M734582-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90

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	Oxanes Tertiary carboxylic acid amides Tertiary amines Secondary alcohols Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	N-acylpyrrolidine - Oxane - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxide - Amine - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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	[(3S)-3-hydroxypyrrolidin-1-yl]-(oxan-4-yl)methanone
INCHI	InChI=1S/C10H17NO3/c12-9-1-4-11(7-9)10(13)8-2-5-14-6-3-8/h8-9,12H,1-7H2/t9-/m0/s1
InChIKey	QLYXQTUXFAMVAL-VIFPVBQESA-N
Smiles	C1CN(CC1O)C(=O)C2CCOCC2
Isomeric SMILES	C1CN(C[C@H]1O)C(=O)C2CCOCC2
PubChem CID	66577083
Molecular Weight	199.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.250 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	199.121 Da
Monoisotopic Mass	199.121 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213.000
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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