N-(2-Hydroxy-4-methylphenyl)acetamide - ≥97% , CAS No.13429-10-2

CAS: 13429-10-2 Cat. No.: A167031 分子式: C₉H₁₁NO₂ 分子量: 165.19 EC番号: 630-760-4

グレード＆純度 ≥97%

Synonyms

2-Acetamido-5-methylphenol, 97% | InChI=1/C9H11NO2/c1-6-3-4-8(9(12)5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11 | MFCD00012061 | LS-02163 | HTVPAACTHAQQAS-UHFFFAOYSA-N | EN300-69470 | SCHEMBL4520067 | AKOS000321763 | DTXSID9065449 | Acetamide, N-(2-hydroxy-4-met

Storage

Argon charged,Room temperature

Shipped In

Normal

仕様

同義語

2-Acetamido-5-methylphenol, 97% | InChI=1/C9H11NO2/c1-6-3-4-8(9(12)5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11 | MFCD00012061 | LS-02163 | HTVPAACTHAQQAS-UHFFFAOYSA-N | EN300-69470 | SCHEMBL4520067 | AKOS000321763 | DTXSID9065449 | Acetamide, N-(2-hydroxy-4-met

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

504755672

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504755672

カノニカル・スマイル

CC1=CC(=C(C=C1)NC(=O)C)O

IUPAC Name

N-(2-hydroxy-4-methylphenyl)acetamide

InChIKey

HTVPAACTHAQQAS-UHFFFAOYSA-N

INCHI

1S/C9H11NO2/c1-6-3-4-8(9(12)5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)

異性体SMILES

CC1=CC(=C(C=C1)NC(=O)C)O

分子量

165.19

Reaxy-Rn

972595

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Meta cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - M-cresol - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Toluene - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 感度: air & heat & Moisture & light sensitive
• 融点（°C）: 167-172 °C
• 分子量: 165.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.079 Da
• Monoisotopic Mass: 165.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 170.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13429-10-2, the molecular formula is C9H11NO2, and the molecular weight is 165.19 g/mol. InChIKey HTVPAACTHAQQAS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.