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

CAS: 629-54-9 Cat. No.: H157085 분자식: C₁₆H₃₃NO 분자량: 255.45 Beilstein Registry Number: 2(4)1182 EC 번호: 211-095-5

등급 & 순도 ≥95%(GC)

Storage

Room temperature

Shipped In

Normal

사양

사양 및 순도

≥95%(GC)

보관 조건

Room temperature

배송

Normal

작업 유형

ACTIVATOR

순수함

≥95%(GC)

이름과 식별자

Pubchem Sid

504754387

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754387

정식 스마일

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)

이성체 SMILES

CCCCCCCCCCCCCCCC(=O)N

분자량

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
    • 분류 Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(인간)

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Discover Target: CNR1

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CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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관련 대상(비인간)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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Trpv2 Transient receptor potential cation channel subfamily V member 2 (148 Activities)

Discover Target: Trpv2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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RAW264.7 (28094 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 236 °C/12 mmHg
• 녹는점(°C): 106 °C
• 분자량: 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