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3-Benzyl-8-Oxa-3-Azabicyclo[3.2.1]Octane - ≥95%, high purity , CAS No.54745-75-4

COA

Grade & Purity:

≥95%

Cas Number: 54745-75-4
PubChem CID: 12069230

In stock

Item Number

B726461

Grouped product items
SKU	Size	Availability	Price	Qty
B726461-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$809.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Azepanes Aralkylamines Morpholines Oxolanes Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Azepane - Aralkylamine - Morpholine - Oxazinane - Oxolane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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-8-oxa-3-azabicyclo[3.2.1]octane
INCHI	InChI=1S/C13H17NO/c1-2-4-11(5-3-1)8-14-9-12-6-7-13(10-14)15-12/h1-5,12-13H,6-10H2
InChIKey	FWPBWDMKQQRHHZ-UHFFFAOYSA-N
Smiles	C1CC2CN(CC1O2)CC3=CC=CC=C3
Isomeric SMILES	C1CC2CN(CC1O2)CC3=CC=CC=C3
Alternate CAS	54745-75-4
PubChem CID	12069230

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	203.280 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	203.131 Da
Monoisotopic Mass	203.131 Da
Topological Polar Surface Area	12.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	201.000
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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