N-メチロールアクリルアミド - ≥98% , CAS No.924-42-5

CAS: 924-42-5 Cat. No.: M108949 分子式: C₄H₇NO₂ 分子量: 101.10 EC番号: 213-103-2

GRADE & PURITY ≥98%

Synonyms

Acrylamide, N-(hydroxymethyl)- | N-Methylolacrylamide | MFCD00004597 | BS-17859 | EC 213-103-2 | N-Methylol Acrylamide | FT-0720637 | M0574 | NSC553 | NSC-553 | NCGC00163845-02 | NCI-C60333 | UNII-W8W68JL80Q | N-MAM | Q26840808 | Yuramin T 80 | InChI=1/C4

Storage

2～8℃で保存

Shipped In

濡れた氷

Specifications

同義語

Acrylamide, N-(hydroxymethyl)- | N-Methylolacrylamide | MFCD00004597 | BS-17859 | EC 213-103-2 | N-Methylol Acrylamide | FT-0720637 | M0574 | NSC553 | NSC-553 | NCGC00163845-02 | NCI-C60333 | UNII-W8W68JL80Q | N-MAM | Q26840808 | Yuramin T 80 | InChI=1/C4

仕様と純度

≥98%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥98%

名前と識別子

パブケム・シド

508810968

カノニカル・スマイル

C=CC(=O)NCO

IUPAC Name

N-(hydroxymethyl)prop-2-enamide

InChIKey

CNCOEDDPFOAUMB-UHFFFAOYSA-N

INCHI

1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)

異性体SMILES

C=CC(=O)NCO

WGKドイツ

3

RTECS

AS3600000

分子量

101.10

Reaxy-Rn

506646

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506646&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acids and derivatives
• Alternative Parents: Secondary carboxylic acid amides Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Alkanolamine - 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 acrylic acids and derivatives. These are organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof.
• External Descriptors: carboxamide

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）

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

• 溶解度: Soluble in alcohol and water, water solubility 1,880 g/l 20 °C
• 感度: light sensitive； heat sensitive； Moisture sensitive.
• 屈折率: 1.413
• 沸点（°C）: 277°C
• 融点（°C）: 76°C
• 分子量: 101.100 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 101.048 Da
• Monoisotopic Mass: 101.048 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 79.800
• 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