Dihidrocloruro de éster etílico de L-lisina - ≥98% , CAS No.3844-53-9

CAS: 3844-53-9 Cat. No.: L100450 Peso molecular: 247.16 Beilstein Registry Number: 3697099 Número EC: 223-340-3

GRADE & PURITY ≥98%

Synonyms

(S)-Etil 2,6-diaminohexanoato dihidrocloruro | éster etílico de lisina dihidrocloruro | H-Lys-OEt.2HCl | AKOS015908343 | A824156 | éster etílico de L-lisina dihidrocloruro, >=99,0% (AT) | J-300190 | (2S)-2,6-diaminohexanoato dihidrocloruro de etilo | 2,6-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(S)-Etil 2, 6-diaminohexanoato dihidrocloruro | éster etílico de lisina dihidrocloruro | H-Lys-OEt.2HCl | AKOS015908343 | A824156 | éster etílico de L-lisina dihidrocloruro, >=99, 0% (AT) | J-300190 | (2S)-2, 6-diaminohexanoato dihidrocloruro de etilo | 2, 6-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C(CCCCN)N.Cl.Cl
• IUPAC Name: ethyl (2S)-2,6-diaminohexanoate;dihydrochloride
• InChIKey: DZIYAIZKJOHVQC-KLXURFKVSA-N
• INCHI: 1S/C8H18N2O2.2ClH/c1-2-12-8(11)7(10)5-3-4-6-9;;/h7H,2-6,9-10H2,1H3;2*1H/t7-;;/m0../s1
• Isómeros SMILES: CCOC(=O)[C@H](CCCCN)N.Cl.Cl
• WGK Alemania: 3
• CAS alternativo: 4117-33-3
• Peso molecular: 247.16
• Beilstein: 3697099

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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 Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic.
• Punto de fusión (°C): 150°C
• Peso molecular: 247.160 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 246.09 Da
• Monoisotopic Mass: 246.09 Da
• Topological Polar Surface Area: 78.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 128.000
• 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

Referencias

1. Xiaoyu Lei, Boyuan Yang, Jie Chen, Fang Yang, Jiajing Tang, Jihua Li, Qing Zhao, Jinzheng Zhang, Jidong Li, Yubao Li, Yi Zuo.  (2023)  Biodegradable Polyurethane Scaffolds in Regeneration Therapy: Characterization and In Vivo Real-Time Degradation Monitoring by Grafted Fluorescent Tracer.  ACS Applied Materials & Interfaces,      [PMID:38112686] [10.1021/acsami.3c13187]

2. Zhengqi Zha, Yinghua Miao, Huiling Tang, Daniela D. Herrera-Balandrano, Hongping Yin, Su-Yan Wang.  (2022)  Heparosan-based self-assembled nanocarrier for zinc(II) phthalocyanine for use in photodynamic cancer therapy.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:35926671] [10.1016/j.ijbiomac.2022.07.228]

3. Shujing Pang, Hao Chen, Zhenyi Jiang, Binglei Song, Danhua Xie, Zhaolan Zhai, Zhenggang Cui, Yao Gu, Xiaomei Pei.  (2022)  Water-in-Oil Emulsion Gels Stabilized by a Low-Molecular Weight Organogelator Derived from Dehydroabietic Acid.  LANGMUIR,      [PMID:35507678] [10.1021/acs.langmuir.2c00280]

4. Fuhua Sun, Jie Chen, Shue Jin, Jian Wang, Yi Man, Jidong Li, Qin Zou, Yubao Li, Yi Zuo.  (2018)  Development of biomimetic trilayer fibrous membranes for guided bone regeneration.  Journal of Materials Chemistry B,  7  (4): (665-675).  [PMID:32254799] [10.1039/C8TB02435A]

5. Siqiang Wang, Kai Li, Zitang Xu, Hao Wang, Qiyang Wang, Ao Lin, Pengbo Wang, Xiaoman Xie, Li Xu, Yunjun Yan.  (2026)  Mussel-inspired bioadhesive via enzymatic adhesive peptide synthesis and liquid-liquid phase separation for robust adhesion in harsh environments.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.173645]