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tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate hydrochloride - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 18540411

In stock

Item Number

T176163

Grouped product items
SKU	Size	Availability	Price	Qty
T176163-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,059.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazinanes
    - Subclass Morpholines
      - Level5 Morpholine carboxylic acids and derivatives
        Level6 Morpholine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Morpholine carboxylic acids and derivatives
Direct Parent	Morpholine carboxylic acids
Alternative Parents	Carbamate esters Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Morpholine-4-carboxylic acid - Carbamic acid ester - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.
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 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate;hydrochloride
INCHI	InChI=1S/C11H20N2O3.ClH/c1-11(2,3)16-10(14)13-6-8-4-12-5-9(7-13)15-8;/h8-9,12H,4-7H2,1-3H3;1H
InChIKey	ZJVZEXFJJIKYTR-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CNCC(C1)O2.Cl

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	264.750 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	264.124 Da
Monoisotopic Mass	264.124 Da
Topological Polar Surface Area	50.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	263.000
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	2

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