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8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol - 97%, high purity , CAS No.1058166-28-1

COA

Grade & Purity:

≥97%

Cas Number: 1058166-28-1
Molecular Weight: 231.33
PubChem CID: 57712245

In stock

Item Number

B626692

Grouped product items
SKU	Size	Availability	Price
B626692-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
B626692-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$321.90
B626692-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$641.90

Basic Description

Synonyms	8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol \| 1058166-28-1 \| SCHEMBL2841486 \| MFCD28606988 \| AS-78215 \| P19809
Specifications & Purity	≥97%
Shipped In	Normal

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	Tropane alkaloids Phenylmethylamines Benzylamines Aralkylamines N-alkylpyrrolidines Tertiary alcohols 1,3-aminoalcohols Trialkylamines Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-benzylpiperidine - Tropane alkaloid - Phenylmethylamine - Benzylamine - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Tertiary alcohol - Pyrrolidine - Cyclic alcohol - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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	8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
INCHI	InChI=1S/C15H21NO/c1-15(17)9-13-7-8-14(10-15)16(13)11-12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3
InChIKey	JJEDXOPZTSQJJJ-UHFFFAOYSA-N
Smiles	CC1(CC2CCC(C1)N2CC3=CC=CC=C3)O
Isomeric SMILES	CC1(CC2CCC(C1)N2CC3=CC=CC=C3)O
PubChem CID	57712245
Molecular Weight	231.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.330 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	231.162 Da
Monoisotopic Mass	231.162 Da
Topological Polar Surface Area	23.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	258.000
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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