Hexanamide - ≥98% , CAS No.628-02-4

CAS: 628-02-4 Cat. No.: H157108 分子式: C₆H₁₃NO 分子量: 115.18 Beilstein Registry Number: 2(4)929 EC番号: 211-024-8

グレード＆純度 ≥98%

Synonyms

Tox21_111111_1 | Q5548698 | D89187 | NSC8437 | NSC-8437 | HSDB 5509 | Tox21_111111 | Capronamide | Hexanoamide, 98% | hexanoic acid amide | BRN 1741923 | DTXCID20696 | n-Capronamide | n-Hexanamide | R0YX4OJ6TW | hexaneamide | InChI=1/C6H13NO/c1-2-3-4-5-6(

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Tox21_111111_1 | Q5548698 | D89187 | NSC8437 | NSC-8437 | HSDB 5509 | Tox21_111111 | Capronamide | Hexanoamide, 98% | hexanoic acid amide | BRN 1741923 | DTXCID20696 | n-Capronamide | n-Hexanamide | R0YX4OJ6TW | hexaneamide | InChI=1/C6H13NO/c1-2-3-4-5-6(

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488181625

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181625

カノニカル・スマイル

CCCCCC(=O)N

IUPAC Name

hexanamide

InChIKey

ALBYIUDWACNRRB-UHFFFAOYSA-N

INCHI

1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)

異性体SMILES

CCCCCC(=O)N

WGKドイツ

3

RTECS

MN7875000

分子量

115.18

Beilstein

2(4)929

Reaxy-Rn

1741923

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741923&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty amides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
• External Descriptors: a small molecule

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility in Methanol almost transparency
• 融点（°C）: 98-101℃
• 分子量: 115.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1