N-Chloroacetyl-DL-norleucine - ≥99%(T) , CAS No.67206-26-2

CAS: 67206-26-2 Cat. No.: N159157 Peso molecular: 207.65 Número EC: 679-586-0

GRADE & PURITY ≥99%(T)

Synonyms

FT-0702411 | Chloracetyl-d,l-norleucin | HY-W142018 | NTOGPWIZAGBRID-UHFFFAOYSA-N | N-(Chloroacetyl)norleucine | Chloroacetyl-dl-norleucine | N-Chloroacetyl-DL-norleucine | SCHEMBL11736289 | N-(Chloroacetyl)-DL-norleucine | 2-(2-chloroacetamido)hexanoic a

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0702411 | Chloracetyl-d, l-norleucin | HY-W142018 | NTOGPWIZAGBRID-UHFFFAOYSA-N | N-(Chloroacetyl)norleucine | Chloroacetyl-dl-norleucine | N-Chloroacetyl-DL-norleucine | SCHEMBL11736289 | N-(Chloroacetyl)-DL-norleucine | 2-(2-chloroacetamido)hexanoic a

Especificaciones y pureza

≥99%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(T)

Nombres e identificadores

• Sonrisas canónicas: CCCCC(C(=O)O)NC(=O)CCl
• IUPAC Name: 2-[(2-chloroacetyl)amino]hexanoic acid
• InChIKey: NTOGPWIZAGBRID-UHFFFAOYSA-N
• INCHI: 1S/C8H14ClNO3/c1-2-3-4-6(8(12)13)10-7(11)5-9/h6H,2-5H2,1H3,(H,10,11)(H,12,13)
• Isómeros SMILES: CCCCC(C(=O)O)NC(=O)CCl
• Peso molecular: 207.65
• Reaxy-Rn: 1726318
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726318&ln=

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 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• 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 - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Medium-chain fatty acids Halogenated fatty acids Chloroacetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-alpha-amino acid - Medium-chain fatty acid - Halogenated fatty acid - Fatty acyl - Fatty acid - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Alkyl chloride - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen 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

Propiedades químicas y físicas

• Punto de fusión (°C): 113 °C
• Peso molecular: 207.650 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 207.066 Da
• Monoisotopic Mass: 207.066 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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: 1