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3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one - ≥98%, high purity , CAS No.1240529-14-9

COA

Grade & Purity:

≥98%

Cas Number: 1240529-14-9
Molecular Weight: 201.26
PubChem CID: 47003605

In stock

Item Number

B735811

Grouped product items
SKU	Size	Availability	Price
B735811-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$419.90
B735811-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$711.90
B735811-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,922.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
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 Aralkylamines Trialkylamines Ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-benzylpiperidine - Benzylamine - Phenylmethylamine - Piperidinone - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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[3.1.1]heptan-6-one
INCHI	InChI=1S/C13H15NO/c15-13-11-6-12(13)9-14(8-11)7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey	DXLWDHDUFRJNJZ-UHFFFAOYSA-N
Smiles	C1C2CN(CC1C2=O)CC3=CC=CC=C3
Isomeric SMILES	C1C2CN(CC1C2=O)CC3=CC=CC=C3
PubChem CID	47003605
Molecular Weight	201.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	201.260 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	201.115 Da
Monoisotopic Mass	201.115 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	243.000
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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