2-Acetamidophenol - ≥99% , CAS No.614-80-2

CAS: 614-80-2 Cat. No.: A107221 Molecular Weight: 151.16 Beilstein Registry Number: 607592 EC Number: 210-396-9

GRADE & PURITY ≥99%

Synonyms

2-Hydroxyanilid kyseliny octove | AS-15275 | H0189 | 2-Acetaminophenol | SCHEMBL79487 | CHEBI:143107 | DTXCID402082 | NSC 3989 | PARACETAMOL IMPURITY A [EP IMPURITY] | 4AS8989RNI | AI3-01928 | BDBM60355 | F1962-0202 | N-(2-Hydroxyphenyl)acetamide # | BRN

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Hydroxyanilid kyseliny octove | AS-15275 | H0189 | 2-Acetaminophenol | SCHEMBL79487 | CHEBI:143107 | DTXCID402082 | NSC 3989 | PARACETAMOL IMPURITY A [EP IMPURITY] | 4AS8989RNI | AI3-01928 | BDBM60355 | F1962-0202 | N-(2-Hydroxyphenyl)acetamide # | BRN

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=CC=CC=C1O
• IUPAC Name: N-(2-hydroxyphenyl)acetamide
• InChIKey: ADVGKWPZRIDURE-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
• Isomeric SMILES: CC(=O)NC1=CC=CC=C1O
• WGK Germany: 3
• RTECS: AE4025000
• Molecular Weight: 151.16
• Beilstein: 607592
• Reaxy-Rn: 607592
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607592&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines 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 - N-arylamide - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Mycobacterium tuberculosis (203094 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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RAW264.7 (28094 Activities)

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Mycobacterium tuberculosis variant bovis BCG (1626 Activities)

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Large T antigen (1457 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive，Moisture sensitive
• Melt Point(°C): 205-210°C
• Molecular Weight: 151.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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

References

1. Xiaozhi Li, Jutao Qiao, Dan Luo, Siyi Xu, Yuefeng Liu, Hao Liu.  (2022)  A flexible Ni–Ag-coated nylon yarn as an electrode for non-enzymatic glucose sensing.  NEW JOURNAL OF CHEMISTRY,  46  (47): (22778-22785).  [PMID:] [10.1039/D2NJ03421B]

2. Lingyou Meng, Zhuo Li, Binhong Qu, Peng Li, Jianhui Sun, Yang Qu, Ziqing Zhang, Liqiang Jing.  (2025)  Molecular imprinted Bi4O5Br2 nanosheets for visual ultrasensitive chlorophenols detection by developing a dye-photosensitization sensing system.  WATER RESEARCH,      [PMID:40644845] [10.1016/j.watres.2025.124141]