ethyl 2-aminocyclohexanecarboxylate - ≥97% , CAS No.64162-07-8

CAS: 64162-07-8 Cat. No.: E634273 Formula: C₉H₁₇NO₂ Molecular Weight: 171.24

GRADE & PURITY ≥97%

Synonyms

ethyl 2-aminocyclohexanecarboxylate|ethyl 2-aminocyclohexane-1-carboxylate|cis-2-Amino-cyclohexanecarboxylic acid ethyl ester|rac-Ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate|Cyclohexanecarboxylic acid, 2-amino-, ethyl ester|ethyl 2-aminocyclohexane carboxylate|cis-Ethyl 2-aminocyclohexanecarboxylate|(1R,2S) Ethyl 2-aminocyclohexanecarboxylate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

ethyl 2-aminocyclohexanecarboxylate | ethyl 2-aminocyclohexane-1-carboxylate | cis-2-Amino-cyclohexanecarboxylic acid ethyl ester | rac-Ethyl (1R,2S)-2-aminocyclohexane-1-carboxylate | Cyclohexanecarboxylic acid, 2-amino-, ethyl ester | ethyl 2-aminocyclohexane carboxylate | cis-Ethyl 2-aminocyclohexanecarboxylate | (1R,2S) Ethyl 2-aminoc Show more

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Canonical Smiles

CCOC(=O)C1CCCCC1N

IUPAC Name

ethyl 2-aminocyclohexane-1-carboxylate

InChIKey

VODUKXHGDCJEOZ-UHFFFAOYSA-N

INCHI

1S/C9H17NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3

Isomeric SMILES

CCOC(=O)C1CCCCC1N

Molecular Weight

171.24

Reaxy-Rn

3089159

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3089159&ln=

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 Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Beta amino acid or derivatives - Cyclohexylamine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 171.240 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.126 Da
• Monoisotopic Mass: 171.126 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 64162-07-8, the molecular formula is C9H17NO2, and the molecular weight is 171.24 g/mol. InChIKey VODUKXHGDCJEOZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.