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8-azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3-exo)- - 97%, high purity , CAS No.194222-05-4

COA

Grade & Purity:

≥97%

Cas Number: 194222-05-4
Molecular Weight: 227.3
PubChem CID: 11160507
PubChem SID: 504766096

In stock

Item Number

A175405

Grouped product items
SKU	Size	Availability	Price	Qty
A175405-1g	1g	3	$96.90
A175405-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$432.90

Basic Description

Synonyms	194222-05-4 \| tert-Butyl 3-endo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate \| 143557-91-9 \| N-Boc-Nortropine \| tert-Butyl 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate \| (1R,3s,5S)-tert-Butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate \| Tert-buty
Specifications & Purity	≥97%
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 Alkaloids and derivatives
  - Class Tropane alkaloids

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	Tropane alkaloids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tropane alkaloids
Alternative Parents	Piperidinecarboxylic acids Pyrrolidine carboxylic acids Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Tropane alkaloid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Cyclic alcohol - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Secondary alcohol - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
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

Pubchem Sid	504766096
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766096
IUPAC Name	tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
INCHI	InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?
InChIKey	SEGZJJSZYOEABC-ULKQDVFKSA-N
Smiles	CC(C)(C)OC(=O)N1C2CCC1CC(C2)O
Isomeric SMILES	CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)O
Molecular Weight	227.3
Reaxy-Rn	14218104
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14218104&ln=

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

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Lot Number	Certificate Type	Date	Item
J2228186	Certificate of Analysis	Sep 06, 2022	A175405

Chemical and Physical Properties

Sensitivity	Hygroscopic
Molecular Weight	227.300 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	227.152 Da
Monoisotopic Mass	227.152 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	270.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
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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