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ethyl 2-(3-methylpiperidin-4-yl)acetate hydrochloride - 97%, high purity , CAS No.1630907-26-4

COA

Grade & Purity:

≥97%

Cas Number: 1630907-26-4
Molecular Weight: 221.73
PubChem CID: 91800881

In stock

Item Number

E174756

Grouped product items
SKU	Size	Availability	Price	Qty
E174756-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,168.90

Basic Description

Synonyms	1630907-26-4 \| ethyl 2-(3-methylpiperidin-4-yl)acetate hydrochloride \| (3-Methyl-piperidin-4-yl)-acetic acid ethyl ester HCl \| Ethyl 2-(3-methyl-4-piperidyl)acetate hydrochloride \| MFCD28166358 \| ethyl 2-(3-methylpiperidin-4-yl)acetate;hydrochloride \| (3-Methyl-piper
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Delta amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Delta amino acids and derivatives
Alternative Parents	Piperidines Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Delta amino acid or derivatives - Piperidine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
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	ethyl 2-(3-methylpiperidin-4-yl)acetate;hydrochloride
INCHI	InChI=1S/C10H19NO2.ClH/c1-3-13-10(12)6-9-4-5-11-7-8(9)2;/h8-9,11H,3-7H2,1-2H3;1H
InChIKey	UDTVCWPDJXTKJC-UHFFFAOYSA-N
Smiles	CCOC(=O)CC1CCNCC1C.Cl
Isomeric SMILES	CCOC(=O)CC1CCNCC1C.Cl
PubChem CID	91800881
Molecular Weight	221.73

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.720 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	221.118 Da
Monoisotopic Mass	221.118 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	170.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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