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3-Benzyl-2，3，4，5-Tetrahydro-1H-1，5-Methanobenzo[D]Azepine - ≥97%, high purity , CAS No.230615-48-2

COA

Grade & Purity:

≥97%

Cas Number: 230615-48-2
PubChem CID: 12047219

In stock

Item Number

B726449

Grouped product items
SKU	Size	Availability	Price	Qty
B726449-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$555.90

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	Benzazepines Indanes Phenylmethylamines Benzylamines Azepines Aralkylamines Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-benzylpiperidine - Benzazepine - Indane - Benzylamine - Phenylmethylamine - Azepine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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	10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
INCHI	InChI=1S/C18H19N/c1-2-6-14(7-3-1)11-19-12-15-10-16(13-19)18-9-5-4-8-17(15)18/h1-9,15-16H,10-13H2
InChIKey	TWQZMFJJYHNANK-UHFFFAOYSA-N
Smiles	C1C2CN(CC1C3=CC=CC=C23)CC4=CC=CC=C4
Isomeric SMILES	C1C2CN(CC1C3=CC=CC=C23)CC4=CC=CC=C4
Alternate CAS	230615-48-2
PubChem CID	12047219

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	249.300 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	249.152 Da
Monoisotopic Mass	249.152 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	287.000
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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