Nylon 11 - pellets,3 mm , CAS No.25035-04-5

CAS: 25035-04-5 Cat. No.: N303201 分子式: (-NH(CH₂)₁₀CO-)n 分子量: 201.31 EC番号: 620-040-8

グレード＆純度 pellets,3 mm

Synonyms

AS-16035 | NCI-C50613 | SCHEMBL35890 | 11-AMINOUNDECANOIC ACID [IARC] | MFCD00008150 | AMINOUNDECANOIC ACID, 11- | HY-W014831 | 11-AMINOUNDECANOIC ACID [HSDB] | AM82457 | F14580 | BRN 1767291 | A22758 | 11-AMINOUNDECANOIC ACID | 11-amino-undecanoic acid |

Storage

Room temperature

Shipped In

Normal

仕様

同義語

AS-16035 | NCI-C50613 | SCHEMBL35890 | 11-AMINOUNDECANOIC ACID [IARC] | MFCD00008150 | AMINOUNDECANOIC ACID, 11- | HY-W014831 | 11-AMINOUNDECANOIC ACID [HSDB] | AM82457 | F14580 | BRN 1767291 | A22758 | 11-AMINOUNDECANOIC ACID | 11-amino-undecanoic acid |

仕様と純度

pellets,3 mm

保管条件

Room temperature

入荷

Normal

名前と識別子

パブケム・シド

508813328

カノニカル・スマイル

C(CCCCCN)CCCCC(=O)O

IUPAC Name

11-aminoundecanoic acid

InChIKey

GUOSQNAUYHMCRU-UHFFFAOYSA-N

INCHI

1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)

異性体SMILES

C(CCCCCN)CCCCC(=O)O

分子量

201.31

Reaxy-Rn

1767291

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767291&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Amino fatty acids Straight chain fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Amino fatty acid - Straight chain fatty acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Amino fatty acids

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

関連ターゲット（人間）

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 190°C
• 分子量: 201.310 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 201.173 Da
• Monoisotopic Mass: 201.173 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• 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