DL-Ethyl 2-aminopropanoate hydrochloride - ≥96% , CAS No.617-27-6

CAS: 617-27-6 Cat. No.: D304158 Molecular Weight: 153.61 EC Number: 210-507-0

GRADE & PURITY ≥96%

Synonyms

ethyl 2-aminopropanoate hydrochloride | 3,3-DIMETHOXYBENZOIN | Alanine, ethyl ester, hydrochloride | SY021480 | AS-12779 | h-dl-ala-oet hydrochloride | AKOS009156436 | [(2S)-1-Ethoxy-1-oxopropan-2-yl]azanium;chloride | H-DL-Ala-OEt.HCl | NSC45688 | NSC-45

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

ethyl 2-aminopropanoate hydrochloride | 3, 3-DIMETHOXYBENZOIN | Alanine, ethyl ester, hydrochloride | SY021480 | AS-12779 | h-dl-ala-oet hydrochloride | AKOS009156436 | [(2S)-1-Ethoxy-1-oxopropan-2-yl]azanium;chloride | H-DL-Ala-OEt.HCl | NSC45688 | NSC-45

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488187304
• Canonical Smiles: CCOC(=O)C(C)N.Cl
• IUPAC Name: ethyl 2-aminopropanoate;hydrochloride
• InChIKey: JCXLZWMDXJFOOI-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H
• Isomeric SMILES: CCOC(=O)C(C)N.Cl
• Molecular Weight: 153.61
• Reaxy-Rn: 3654425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3654425&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: Alanine and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Organic nitrogen compound - Organopnictogen compound - 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

• Melt Point(°C): 85-87 °C
• Molecular Weight: 153.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.056 Da
• Monoisotopic Mass: 153.056 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yiqian Huang, Zhiyun Du, Tianyi Zheng, Wei Jing, Huanhuan Liu, Xue Liu, Jianping Mao, Xu Zhang, Qing Cai, Dafu Chen, Xiaoping Yang.  (2021)  Antibacterial, conductive, and osteocompatible polyorganophosphazene microscaffolds for the repair of infectious calvarial defect.  JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A,  109  (12): (2580-2596).  [PMID:34173709] [10.1002/jbm.a.37252]

2. Yiqian Huang, Zhaohui Huang, Huanhuan Liu, Xu Zhang, Qing Cai, Xiaoping Yang.  (2020)  Photoluminescent biodegradable polyorganophosphazene: A promising scaffold material for in vivo application to promote bone regeneration.  Bioactive Materials,      [PMID:31993535] [10.1016/j.bioactmat.2020.01.008]