Ethyl sarcosinate hydrochloride - ≥98% , CAS No.52605-49-9

CAS: 52605-49-9 Cat. No.: E115901 Molecular Weight: 153.61 Beilstein Registry Number: 3911182 EC Number: 258-037-5

GRADE & PURITY ≥98%

Synonyms

AS-12777 | EN300-49281 | FT-0610285 | Ethyl 2-(methylamino)acetate HCl | Sarcosine ethyl ester hydrochloride, puriss., >=99.0% (AT) | sarcosine ethyl ester HCl | sarcosine ethyl ester hydrochloride salt | SCHEMBL394409 | W-105810 | MFCD00955718 | N-methyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AS-12777 | EN300-49281 | FT-0610285 | Ethyl 2-(methylamino)acetate HCl | Sarcosine ethyl ester hydrochloride, puriss., >=99.0% (AT) | sarcosine ethyl ester HCl | sarcosine ethyl ester hydrochloride salt | SCHEMBL394409 | W-105810 | MFCD00955718 | N-methyl

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757661
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757661
• Canonical Smiles: CCOC(=O)CNC.Cl
• IUPAC Name: ethyl 2-(methylamino)acetate;hydrochloride
• InChIKey: NIDZUMSLERGAON-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO2.ClH/c1-3-8-5(7)4-6-2;/h6H,3-4H2,1-2H3;1H
• Isomeric SMILES: CCOC(=O)CNC.Cl
• WGK Germany: 3
• Alternate CAS: 13200-60-7
• Molecular Weight: 153.61
• Beilstein: 3911182
• Reaxy-Rn: 3911182
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3911182&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 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: Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Carboxylic acid ester - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic 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

• Solubility: Soluble in water 0.1 g/mL
• Sensitivity: Hygroscopic
• Melt Point(°C): 123-129°C
• Molecular Weight: 153.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 153.056 Da
• Monoisotopic Mass: 153.056 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.800
• 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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