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

CAS: 52605-49-9 Cat. No.: E115901 分子式: C₅H₁₁NO₂·HCl 分子量: 153.61 Beilstein Registry Number: 3911182 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504757661

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757661

カノニカル・スマイル

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

異性体SMILES

CCOC(=O)CNC.Cl

WGKドイツ

3

代替CAS番号

13200-60-7

分子量

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
    • 分類 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
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in water 0.1 g/mL
• 感度: Hygroscopic
• 融点（°C）: 123-129°C
• 分子量: 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

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 52605-49-9, the molecular formula is C5H11NO2·HCl, and the molecular weight is 153.61 g/mol. InChIKey NIDZUMSLERGAON-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.