ethyl 2-(5-aminoindol-1-yl)acetate;hydrochloride - ≥97% , CAS No.1221722-73-1

CAS: 1221722-73-1 Cat. No.: E627502 Molecular Weight: 254.71 PubChem CID: 47002710

GRADE & PURITY ≥97%

Synonyms

ethyl 2-(5-amino-1H-indol-1-yl)acetate hydrochloride | 1221722-73-1 | ethyl 2-(5-aminoindol-1-yl)acetate | hydrochloride | Ethyl 2-(5-aminoindol-1-yl)acetate HCl | EN300-61143 | D79430 | ethyl2-(5-amino-1H-indol-1-yl)acetatehydrochloride | Z1262250826

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

ethyl 2-(5-amino-1H-indol-1-yl)acetate hydrochloride | 1221722-73-1 | ethyl 2-(5-aminoindol-1-yl)acetate | hydrochloride | Ethyl 2-(5-aminoindol-1-yl)acetate HCl | EN300-61143 | D79430 | ethyl2-(5-amino-1H-indol-1-yl)acetatehydrochloride | Z1262250826

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: CCOC(=O)CN1C=CC2=C1C=CC(=C2)N.Cl
• IUPAC Name: ethyl 2-(5-aminoindol-1-yl)acetate;hydrochloride
• InChIKey: FSSDSIKYLMCWMC-UHFFFAOYSA-N
• INCHI: 1S/C12H14N2O2.ClH/c1-2-16-12(15)8-14-6-5-9-7-10(13)3-4-11(9)14;/h3-7H,2,8,13H2,1H3;1H
• Isomeric SMILES: CCOC(=O)CN1C=CC2=C1C=CC(=C2)N.Cl
• PubChem CID: 47002710
• Molecular Weight: 254.71

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
            • Level7 Alpha amino acid esters

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Indolyl carboxylic acids and derivatives N-alkylindoles Indoles Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Indolyl carboxylic acid derivative - N-alkylindole - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 254.710 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 254.082 Da
• Monoisotopic Mass: 254.082 Da
• Topological Polar Surface Area: 57.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 257.000
• 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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