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1-tert-butyl 3-methyl 1,2,5,6-tetrahydropyridine-1,3-dicarboxylate - 97%, high purity , CAS No.125097-83-8

COA

Grade & Purity:

≥97%

Cas Number: 125097-83-8
Molecular Weight: 241.28
PubChem CID: 11128444

In stock

Item Number

T683248

Grouped product items
SKU	Size	Availability	Price
T683248-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$174.90
T683248-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$232.90
T683248-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$388.90
T683248-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$582.90
T683248-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,212.90
T683248-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,760.90
T683248-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$8,272.90
T683248-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14,062.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Alkaloids and derivatives

Kingdom	Organic compounds
Superclass	Alkaloids and derivatives
Class	Not available
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Alkaloids and derivatives
Alternative Parents	Hydropyridines Methyl esters Enoate esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alkaloid or derivatives - Hydropyridine - Carbamic acid ester - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
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

INCHI	InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-7-5-6-9(8-13)10(14)16-4/h6H,5,7-8H2,1-4H3
InChIKey	OSEDCXAVONLPOJ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC=C(C1)C(=O)OC
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC=C(C1)C(=O)OC
PubChem CID	11128444
Molecular Weight	241.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.280 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	241.131 Da
Monoisotopic Mass	241.131 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	341.000
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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