L-Arginine ethyl ester dihydrochloride - ≥98% , CAS No.36589-29-4

CAS: 36589-29-4 Cat. No.: A109012 Molecular Weight: 275.18 EC Number: 609-261-0 PubChem CID: 45073230

GRADE & PURITY ≥98%

Synonyms

L-Arginine, ethyl ester, hydrochloride (1:2) | Arginine ethyl ester hydrochloride | MFCD00038949 | AM81518 | (S)-Ethyl 2-amino-5-guanidinopentanoate dihydrochloride | RPFXMGGIQREZOH-ILKKLZGPSA-N | BCP19532 | A823302 | AKOS015924236 | AKOS015894255 | ARGIN

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

L-Arginine, ethyl ester, hydrochloride (1:2) | Arginine ethyl ester hydrochloride | MFCD00038949 | AM81518 | (S)-Ethyl 2-amino-5-guanidinopentanoate dihydrochloride | RPFXMGGIQREZOH-ILKKLZGPSA-N | BCP19532 | A823302 | AKOS015924236 | AKOS015894255 | ARGIN

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201132
• Canonical Smiles: CCOC(=O)C(CCCN=C(N)N)N.Cl.Cl
• IUPAC Name: ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
• InChIKey: RPFXMGGIQREZOH-ILKKLZGPSA-N
• INCHI: 1S/C8H18N4O2.2ClH/c1-2-14-7(13)6(9)4-3-5-12-8(10)11;;/h6H,2-5,9H2,1H3,(H4,10,11,12);2*1H/t6-;;/m0../s1
• Isomeric SMILES: CCOC(=O)[C@H](CCCN=C(N)N)N.Cl.Cl
• WGK Germany: 3
• PubChem CID: 45073230
• Molecular Weight: 275.18

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: Fatty acid esters Quaternary ammonium salts Guanidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Quaternary ammonium salt - Carboxylic acid ester - Guanidine - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic salt - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic chloride salt - Carbonyl group - Amine - Organic cation - 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

• Molecular Weight: 275.170 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 274.096 Da
• Monoisotopic Mass: 274.096 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 3

XLogP3

References

1. Yiwei Zhang, Yong Chen, Ping Shao, Yingjie Luo, Xuesong Liu, Tengfei Xu.  (2024)  Baicalin derivative dynamically cross-linked natural polysaccharide hydrogel for diabetic wound healing.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.154803]