ethyl 1-amino-2-ethyl-cyclopropanecarboxylate;hydrochloride - ≥97% , CAS No.1255099-55-8

CAS: 1255099-55-8 Cat. No.: E627796 PubChem CID: 66733741

GRADE & PURITY ≥97%

Synonyms

Ethyl 1-amino-2-ethylcyclopropanecarboxylate hydrochloride | ethyl 1-aminocyclopropane-1-carboxylic acid ethyl ester hydrochloride | URJFFPOICMEAON-UHFFFAOYSA-N | MFCD17926287 | Ethyl1-amino-2-ethylcyclopropanecarboxylatehydrochloride | ETHYL 1-AMINO-2-ET

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Ethyl 1-amino-2-ethylcyclopropanecarboxylate hydrochloride | ethyl 1-aminocyclopropane-1-carboxylic acid ethyl ester hydrochloride | URJFFPOICMEAON-UHFFFAOYSA-N | MFCD17926287 | Ethyl1-amino-2-ethylcyclopropanecarboxylatehydrochloride | ETHYL 1-AMINO-2-ET

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCC1CC1(C(=O)OCC)N.Cl
• IUPAC Name: ethyl 1-amino-2-ethylcyclopropane-1-carboxylate;hydrochloride
• InChIKey: URJFFPOICMEAON-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO2.ClH/c1-3-6-5-8(6,9)7(10)11-4-2;/h6H,3-5,9H2,1-2H3;1H
• Isomeric SMILES: CCC1CC1(C(=O)OCC)N.Cl
• Alternate CAS: 1255099-55-8
• PubChem CID: 66733741

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 Alpha 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: Alpha amino acids and derivatives
• Alternative Parents: 1-aminocyclopropane-1-carboxylic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - 1-aminocyclopropane-1-carboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: 193.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.087 Da
• Monoisotopic Mass: 193.087 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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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