(S)-2,6-Diaminohexanamide dihydrochloride - ≥97% , CAS No.51127-08-3

CAS: 51127-08-3 Cat. No.: D693295 分子式: C₆H₁₇Cl₂N₃O 分子量: 218.13 EC番号: 995-903-8

GRADE & PURITY ≥97%

Synonyms

H-Lys-NH2 2HCl | L-Lysine amide dihydrochloride | L-Lys-NH2.2HCl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

H-Lys-NH2 2HCl | L-Lysine amide dihydrochloride | L-Lys-NH2.2HCl

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

カノニカル・スマイル

C(CCN)CC(C(=O)N)N.Cl.Cl

IUPAC Name

(2S)-2,6-diaminohexanamide;dihydrochloride

InChIKey

AIYVJLPYZQDCKV-XRIGFGBMSA-N

INCHI

1S/C6H15N3O.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H2,9,10);2*1H/t5-;;/m0../s1

異性体SMILES

C(CCN)C[C@@H](C(=O)N)N.Cl.Cl

分子量

218.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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 amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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 amides
• Alternative Parents: Fatty amides Primary carboxylic acid amides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid amide - Fatty amide - Fatty acyl - Carboxamide group - Primary carboxylic acid amide - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide 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

化学的性質と物理的性質

• 分子量: 218.120 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 217.075 Da
• Monoisotopic Mass: 217.075 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 105.000
• 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