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2-Carbomethoxy-3-tropinone - 95%, high purity , CAS No.36127-17-0

COA

Grade & Purity:

≥95%

Cas Number: 36127-17-0
Molecular Weight: 197.2
PubChem CID: 251911
PubChem SID: 488189027

In stock

Item Number

C184020

Grouped product items
SKU	Size	Availability	Price
C184020-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
C184020-250mg	250mg	4	$110.90
C184020-1g	1g	4	$309.90
C184020-5g	5g	2	$1,030.90

Discover 2-Carbomethoxy-3-tropinone by Aladdin Scientific in 95% for only $55.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	36127-17-0 \| Methyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate \| 2-carbomethoxy-3-tropinone \| 112574-77-3 \| 8-Methyl-3-oxo-8-azabicyclo[3.2.1]octan-2-carboxylic acid Methyl ester \| 117203-92-6 \| NSC72911 \| 2-Carbomethoxytropinone \| NCIOpen2_000597 \| 2-(Carbomet
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

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 Piperidinones N-alkylpyrrolidines 1,3-dicarbonyl compounds Methyl esters Trialkylamines Cyclic ketones Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Tropane alkaloid - Piperidinone - Piperidine - N-alkylpyrrolidine - 1,3-dicarbonyl compound - Pyrrolidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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	a small molecule
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	488189027
IUPAC Name	methyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
INCHI	InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3
InChIKey	WXEMSGQRTGSYOG-UHFFFAOYSA-N
Smiles	CN1C2CCC1C(C(=O)C2)C(=O)OC
Isomeric SMILES	CN1C2CCC1C(C(=O)C2)C(=O)OC
Molecular Weight	197.2
Reaxy-Rn	161861
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=161861&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
C2323757	Certificate of Analysis	Feb 28, 2023	C184020
C2323640	Certificate of Analysis	Feb 28, 2023	C184020
C2323561	Certificate of Analysis	Feb 28, 2023	C184020
C2323544	Certificate of Analysis	Feb 28, 2023	C184020

Chemical and Physical Properties

Flash Point(°C)	131.7ºC
Boil Point(°C)	294.1ºC at 760mmHg
Molecular Weight	197.230 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	197.105 Da
Monoisotopic Mass	197.105 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	277.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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