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3-azabicyclo[3.1.1]heptan-6-one;hydrochloride - 97%, high purity , CAS No.1486519-87-2

COA

Grade & Purity:

≥97%

Cas Number: 1486519-87-2
MDL number: MFCD27991732
PubChem CID: 73425067

In stock

Item Number

A629406

Grouped product items
SKU	Size	Availability	Price
A629406-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$228.90
A629406-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$366.90
A629406-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$610.90
A629406-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,100.90

Basic Description

Synonyms	3-azabicyclo[3.1.1]heptan-6-one hydrochloride \| 1486519-87-2 \| 3-azabicyclo[3.1.1]heptan-6-onehydrochloride \| 3-AZABICYCLO[3.1.1]HEPTAN-6-ONE HCL \| 3-azabicyclo[3.1.1]heptan-6-one \| hydrochloride \| 3-aza-bicyclo[3.1.1]heptan-6-one hydrochloride \| MFCD2799
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinones
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinones
Alternative Parents	Ketones Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinone - Ketone - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
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-azabicyclo[3.1.1]heptan-6-one;hydrochloride
INCHI	InChI=1S/C6H9NO.ClH/c8-6-4-1-5(6)3-7-2-4;/h4-5,7H,1-3H2;1H
InChIKey	LBVGWIKTJNGJKZ-UHFFFAOYSA-N
Smiles	C1C2CNCC1C2=O.Cl
Isomeric SMILES	C1C2CNCC1C2=O.Cl
PubChem CID	73425067

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	147.600 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	147.045 Da
Monoisotopic Mass	147.045 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	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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