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methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrochloride - 97%, high purity , CAS No.70684-82-1

COA

Grade & Purity:

≥97%

Cas Number: 70684-82-1
Molecular Weight: 177.63
EC Number: 863-703-9
PubChem CID: 12549676

In stock

Item Number

M634408

Grouped product items
SKU	Size	Availability	Price
M634408-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90
M634408-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$458.90
M634408-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$915.90

Basic Description

Synonyms	HG-0051 \| SY023222 \| FT-0754540 \| AKOS024438796 \| Methyl 1,2,3,6-Tetrahydropyridine-4-carboxylate Hydrochloride \| METHYL1,2,3,6-TETRAHYDROPYRIDINE-4-CARBOXYLATEHYDROCHLORIDE \| A866561 \| Methyl 1,2,3,6-tetrahydropyridine-4-carboxylate HCl \| EN300-219882 \|
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 Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Hydropyridines
Alternative Parents	Methyl esters Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Hydropyridine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.).
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrochloride
INCHI	InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-2-4-8-5-3-6;/h2,8H,3-5H2,1H3;1H
InChIKey	YTSAAQMJVBJTJS-UHFFFAOYSA-N
Smiles	COC(=O)C1=CCNCC1.Cl
Isomeric SMILES	COC(=O)C1=CCNCC1.Cl
Alternate CAS	70684-82-1
PubChem CID	12549676
Molecular Weight	177.63

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.630 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	177.056 Da
Monoisotopic Mass	177.056 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
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	2

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