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diethyl 9-azabicyclo[3.3.1]nonane-3,7-dicarboxylate - 97%, high purity , CAS No.1363380-60-2

COA

Grade & Purity:

≥97%

Cas Number: 1363380-60-2
Molecular Weight: 269.34
MDL number: MFCD22573379
PubChem CID: 72208265

In stock

Item Number

D628579

Grouped product items
SKU	Size	Availability	Price
D628579-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$509.90
D628579-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$814.90
D628579-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,357.90
D628579-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,445.90

Basic Description

Synonyms	AKOS025290191 \| DTXSID301164060 \| PB39085 \| 1363380-60-2 \| 9-Azabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 3,7-diethyl ester \| diethyl 9-azabicyclo[3.3.1]nonane-3,7-dicarboxylate \| diethyl9-azabicyclo[3.3.1]nonane-3,7-dicarboxylate \| AS-34542 \| SCHEMBL15
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acid esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Dicarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
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	diethyl 9-azabicyclo[3.3.1]nonane-3,7-dicarboxylate
INCHI	InChI=1S/C14H23NO4/c1-3-18-13(16)9-5-11-7-10(14(17)19-4-2)8-12(6-9)15-11/h9-12,15H,3-8H2,1-2H3
InChIKey	CYOAMOAKXMVYBL-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CC2CC(CC(C1)N2)C(=O)OCC
Isomeric SMILES	CCOC(=O)C1CC2CC(CC(C1)N2)C(=O)OCC
Alternate CAS	1363380-60-2
PubChem CID	72208265
Molecular Weight	269.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	269.340 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	269.163 Da
Monoisotopic Mass	269.163 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	300.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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