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ethyl (1S,2R)-2-aminocyclohexanecarboxylate;hydrochloride - 97%, high purity , CAS No.1346773-57-6

COA

Grade & Purity:

≥97%

Cas Number: 1346773-57-6
Molecular Weight: 207.7
MDL number: MFCD07186214
PubChem CID: 45036999

In stock

Item Number

E628416

Grouped product items
SKU	Size	Availability	Price
E628416-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$133.90
E628416-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90
E628416-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$355.90
E628416-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$532.90
E628416-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,666.90

Basic Description

Synonyms	Y13543 \| SCHEMBL335449 \| Ethyl (1S,2R)-2-aminocyclohexane-1-carboxylate--hydrogen chloride (1/1) \| EN300-203725 \| Ethyl (1S,2R)-2-aminocyclohexane-1-carboxylate HCl \| 1346773-57-6 \| (1S,2R)-ethyl-2-aminocyclohexanecarboxylate hydrochloride \| (1S,2R)-Ethyl
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 Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta 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	Beta amino acids and derivatives
Alternative Parents	Cyclohexylamines Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - Cyclohexylamine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amine - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta 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 (1S,2R)-2-aminocyclohexane-1-carboxylate;hydrochloride
INCHI	InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)7-5-3-4-6-8(7)10;/h7-8H,2-6,10H2,1H3;1H/t7-,8+;/m0./s1
InChIKey	XMQSOBPCWYVZSW-KZYPOYLOSA-N
Smiles	CCOC(=O)C1CCCCC1N.Cl
Isomeric SMILES	CCOC(=O)[C@H]1CCCC[C@H]1N.Cl
Alternate CAS	1346773-57-6
Molecular Weight	207.7
Reaxy-Rn	3703586
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3703586&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.700 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	207.103 Da
Monoisotopic Mass	207.103 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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