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1-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethan-1-one - 97%, high purity , CAS No.1256238-99-9

COA

Grade & Purity:

≥97%

Cas Number: 1256238-99-9
Molecular Weight: 140.19
PubChem CID: 59577681

In stock

Item Number

H627805

Grouped product items
SKU	Size	Availability	Price
H627805-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
H627805-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
H627805-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
H627805-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	1-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethan-1-one \| 1256238-99-9 \| 1-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone \| 1-((1R,4R)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)ethanone \| 1-((1R,4R)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)ethan-1-one \| SCHEMB
Specifications & Purity	≥97%
Shipped In	Normal

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	Piperazines Tertiary carboxylic acid amides Acetamides Tertiary amines Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	N-acylpyrrolidine - 1,4-diazinane - Piperazine - Acetamide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic 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-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
INCHI	InChI=1S/C7H12N2O/c1-5(10)9-4-6-2-7(9)3-8-6/h6-8H,2-4H2,1H3/t6-,7-/m1/s1
InChIKey	MKYKYZQDRKWIAT-RNFRBKRXSA-N
Smiles	CC(=O)N1CC2CC1CN2
Isomeric SMILES	CC(=O)N1C[C@H]2C[C@@H]1CN2
PubChem CID	59577681
Molecular Weight	140.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	140.180 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	140.095 Da
Monoisotopic Mass	140.095 Da
Topological Polar Surface Area	32.299 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	169.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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