Hexadecanamide - ≥95%(GC) , CAS No.629-54-9

CAS: 629-54-9 Cat. No.: H157085 分子式: C₁₆H₃₃NO 分子量: 255.45 Beilstein Registry Number: 2(4)1182 EC番号: 211-095-5

GRADE & PURITY ≥95%(GC)

Synonyms

n-Hexadecanamide | UNII-QX1MQ82M73 | Amide HPL | BDBM50463964 | Hexadecanamide | palmitamide (ACD/Name 4.0) | SCHEMBL43384 | Palmitic amide | H0067 | HSEMFIZWXHQJAE-UHFFFAOYSA-N | MFCD00025534 | Hexadecanoic acid amide | AS-56522 | NSC3327 | NSC-3327 | PA

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

n-Hexadecanamide | UNII-QX1MQ82M73 | Amide HPL | BDBM50463964 | Hexadecanamide | palmitamide (ACD/Name 4.0) | SCHEMBL43384 | Palmitic amide | H0067 | HSEMFIZWXHQJAE-UHFFFAOYSA-N | MFCD00025534 | Hexadecanoic acid amide | AS-56522 | NSC3327 | NSC-3327 | PA

仕様と純度

≥95%(GC)

保管条件

Room temperature

入荷

Normal

アクションタイプ

ACTIVATOR

純度

≥95%(GC)

名前と識別子

• パブケム・シド: 504754387
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504754387
• カノニカル・スマイル: CCCCCCCCCCCCCCCC(=O)N
• IUPAC Name: hexadecanamide
• InChIKey: HSEMFIZWXHQJAE-UHFFFAOYSA-N
• INCHI: 1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)
• 異性体SMILES: CCCCCCCCCCCCCCCC(=O)N
• 分子量: 255.45
• Beilstein: 2(4)1182
• Reaxy-Rn: 908003
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=908003&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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Discover Target: Trpv2

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作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 236 °C/12 mmHg
• 融点（°C）: 106 °C
• 分子量: 255.440 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 255.256 Da
• Monoisotopic Mass: 255.256 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 180.000
• 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

参考文献

1. Zhang Yingyi, Li Liang, Wang Qi, Shen Mei, Han Weili, Yang Xuemei, Chen Lingyun, Ma Ande, Zhou Zhengzheng.  (2019)  Simultaneous determination of metabolic and elemental markers in methamphetamine-induced hepatic injury to rats using LC-MS/MS and ICP-MS.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (15): (3361-3372).  [PMID:31119349] [10.1007/s00216-019-01810-5]

2. Baoyan Ding, Wei Meng, Xiaoling Zang, Zhihua Lv.  (2024)  Metabolic characteristics of prostate cancer cells with high metastatic potential revealed by (S)-ethyl 1-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate inhibition.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:39662125] [10.1016/j.jpba.2024.116611]