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tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

Cas Number: 1363383-17-8
Molecular Weight: 223.316
PubChem CID: 72207605

In stock

Item Number

T173680

Grouped product items
SKU	Size	Availability	Price	Qty
T173680-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
T173680-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$215.90

Basic Description

Synonyms	1-BOC-4-ETHYNYL-4-METHYLPIPERIDINE \| 1363383-17-8 \| tert-Butyl 4-ethynyl-4-methylpiperidine-1-carboxylate \| 1-Piperidinecarboxylic acid, 4-ethynyl-4-methyl-, 1,1-dimethylethyl ester \| SCHEMBL15207180 \| KVSMRAKIKMZNAH-UHFFFAOYSA-N \| AMY19112 \| MFCD20926166 \| AKOS024438514
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	Carbamate esters Azacyclic compounds Acetylides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Carbamic acid ester - Acetylide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic 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	tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate
INCHI	InChI=1S/C13H21NO2/c1-6-13(5)7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,7-10H2,2-5H3
InChIKey	KVSMRAKIKMZNAH-UHFFFAOYSA-N
Smiles	CC1(CCN(CC1)C(=O)OC(C)(C)C)C#C
Isomeric SMILES	CC1(CCN(CC1)C(=O)OC(C)(C)C)C#C
PubChem CID	72207605
Molecular Weight	223.316

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

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
K2422492	Certificate of Analysis	Apr 24, 2024	T173680

Chemical and Physical Properties

Molecular Weight	223.310 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	223.157 Da
Monoisotopic Mass	223.157 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	311.000
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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