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3-benzyl-3-azabicyclo[3.2.1]octan-8-one - 97%, high purity , CAS No.83507-33-9

COA

Grade & Purity:

≥97%

Cas Number: 83507-33-9
Molecular Weight: 215.29
PubChem CID: 15639134

In stock

Item Number

B177554

Grouped product items
SKU	Size	Availability	Price
B177554-1g	1g	2	$13.90
B177554-5g	5g	2	$46.90
B177554-10g	10g	2	$73.90
B177554-25g	25g	1	$146.90
B177554-100g	100g	1	$682.90

View related series

Aryl group (63) Bicyclic rings (5) Bridged rings (4) Organic building blocks (409)

Basic Description

Synonyms	3-benzyl-3-azabicyclo[3.2.1]octan-8-one \| 83507-33-9 \| 3-benzyl-3-aza-bicyclo[3.2.1]octan-8-one \| 3-Azabicyclo[3.2.1]octan-8-one, 3-(phenylmethyl)- \| C14H17NO \| MFCD08275096 \| 3-Benzyl-3-azabicylo[3.2.1]octan-8-one \| (1R,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-one \| SCHE
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Benzylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzylpiperidines
Alternative Parents	Phenylmethylamines Benzylamines Piperidinones Azepanes Aralkylamines Trialkylamines Ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-benzylpiperidine - Benzylamine - Phenylmethylamine - Azepane - Piperidinone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
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-benzyl-3-azabicyclo[3.2.1]octan-8-one
INCHI	InChI=1S/C14H17NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey	DCDAOVIVXGHHHU-UHFFFAOYSA-N
Smiles	C1CC2CN(CC1C2=O)CC3=CC=CC=C3
Isomeric SMILES	C1CC2CN(CC1C2=O)CC3=CC=CC=C3
Molecular Weight	215.29
Reaxy-Rn	7024797
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7024797&ln=

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

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10 results found

Lot Number	Certificate Type	Date	Item
B2418105	Certificate of Analysis	Jan 03, 2024	B177554
B2418119	Certificate of Analysis	Jan 03, 2024	B177554
B2418121	Certificate of Analysis	Jan 03, 2024	B177554
B2418122	Certificate of Analysis	Jan 03, 2024	B177554
B2418123	Certificate of Analysis	Jan 03, 2024	B177554
B2418124	Certificate of Analysis	Jan 03, 2024	B177554
B2418125	Certificate of Analysis	Jan 03, 2024	B177554
B2418126	Certificate of Analysis	Jan 03, 2024	B177554
B2418127	Certificate of Analysis	Jan 03, 2024	B177554
B2418128	Certificate of Analysis	Jan 03, 2024	B177554

Chemical and Physical Properties

Molecular Weight	215.290 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.131 Da
Monoisotopic Mass	215.131 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	254.000
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	1

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