Bendazac L-Lysine - ≥98% , CAS No.81919-14-4

CAS: 81919-14-4 Cat. No.: B338207 Formula: C₁₆H₁₄N₂O₃・C₆H₁₄N₂O₂ Peso molecolare: 428.48

GRADE & PURITY ≥98%

Synonyms

AS-14245 | Bendazac L-Lysine, AldrichCPR | HY-B2165 | Bendazaco lisina | MFCD07776898 | (2S)-2,6-diaminohexanoic acid; 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetic acid | L-Lysine-(1-benzyl-1H-indazol-3-yloxy)acetic acid | L-Lysine, mono(((1-(phenylmethyl)-1H-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

AS-14245 | Bendazac L-Lysine, AldrichCPR | HY-B2165 | Bendazaco lisina | MFCD07776898 | (2S)-2,6-diaminohexanoic acid; 2-[(1-benzyl-1H-indazol-3-yl)oxy]acetic acid | L-Lysine-(1-benzyl-1H-indazol-3-yloxy)acetic acid | L-Lysine, mono(((1-(phenylmethyl)-1H-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504767316

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767316

Sorrisi canonici

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O.C(CCN)CC(C(=O)O)N

IUPAC Name

2-(1-benzylindazol-3-yl)oxyacetic acid;(2S)-2,6-diaminohexanoic acid

InChIKey

OCOCFNMFLNFNIA-ZSCHJXSPSA-N

INCHI

1S/C16H14N2O3.C6H14N2O2/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;7-4-2-1-3-5(8)6(9)10/h1-9H,10-11H2,(H,19,20);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

Isomeri SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O.C(CCN)C[C@@H](C(=O)O)N

Peso molecolare

428.48

Reaxy-Rn

13876260

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13876260&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Indazoles Medium-chain fatty acids Amino fatty acids Alkyl aryl ethers Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: L-alpha-amino acid - Indazole - Benzopyrazole - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Amino acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: H2O : ≥ 100 mg/mL (233.38 mM)
• Sensibilità: Moisture sensitive
• Punto di fusione (°C): 180-190° C
• Peso molecolare: 428.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 428.206 Da
• Monoisotopic Mass: 428.206 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 463.000
• 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: 2

XLogP3

Domande frequenti

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. Refrigerated storage is required to maintain the specified shelf life.

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 81919-14-4, the molecular formula is C22H28N4O5, and the molecular weight is 428.48 g/mol. InChIKey OCOCFNMFLNFNIA-ZSCHJXSPSA-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.