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tert-butyl N-[syn-3-azabicyclo[3.2.1]octan-8-yl]carbamate - 97%, high purity , CAS No.847795-98-6

COA

Grade & Purity:

≥97%

Cas Number: 847795-98-6
Molecular Weight: 226.31
MDL number: MFCD26938414
PubChem CID: 72212383

In stock

Item Number

T634652

Grouped product items
SKU	Size	Availability	Price
T634652-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$464.90
T634652-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,492.90
T634652-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,983.90

Basic Description

Synonyms	847862-26-4 \| 847795-98-6 \| TERT-BUTYL (8-SYN)-3-AZABICYCLO[3.2.1]OCT-8-YLCARBAMATE \| tert-butyl (8-anti)-3-azabicyclo[3.2.1]oct-8-ylcarbamate \| tert-Butyl(8-anti)-3-azabicyclo[3.2.1]oct-8-ylcarbamate \| tert-butyl N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azepanes
Alternative Parents	Piperidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azepane - Piperidine - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen 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	tert-butyl N-[(1R,5S)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
INCHI	InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-8-4-5-9(10)7-13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10?
InChIKey	HHYUNZXSGVNMOY-ULKQDVFKSA-N
Smiles	CC(C)(C)OC(=O)NC1C2CCC1CNC2
Isomeric SMILES	CC(C)(C)OC(=O)NC1[C@@H]2CC[C@H]1CNC2
Molecular Weight	226.31
Reaxy-Rn	26452814
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26452814&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	226.320 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	226.168 Da
Monoisotopic Mass	226.168 Da
Topological Polar Surface Area	50.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	261.000
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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