2-Amino-4-acetamino anisole - ≥95% , CAS No.6375-47-9

CAS: 6375-47-9 Cat. No.: A136984 Molecular Weight: 180.21 Beilstein Registry Number: 13(3)1341 EC Number: 228-938-8

GRADE & PURITY ≥95%

Synonyms

A1064 | N-(3-Amino-4-methoxyphenyl)acetamide | N-(3-amino-4-methoxy-phenyl)acetamide | BBL008271 | W-104878 | 3-Amino-4-Methoxy Acetanilide | 3-Amino-p-acetanisidide | 1-Methoxy-4-(N-acetylamino)-2-aminobenzene | FSR7TUQ7VK | SCHEMBL399453 | Acetamide, N-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A1064 | N-(3-Amino-4-methoxyphenyl)acetamide | N-(3-amino-4-methoxy-phenyl)acetamide | BBL008271 | W-104878 | 3-Amino-4-Methoxy Acetanilide | 3-Amino-p-acetanisidide | 1-Methoxy-4-(N-acetylamino)-2-aminobenzene | FSR7TUQ7VK | SCHEMBL399453 | Acetamide, N-

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504755481
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755481
• Canonical Smiles: CC(=O)NC1=CC(=C(C=C1)OC)N
• IUPAC Name: N-(3-amino-4-methoxyphenyl)acetamide
• InChIKey: SJWQCBCAGCEWCV-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)
• Isomeric SMILES: CC(=O)NC1=CC(=C(C=C1)OC)N
• Molecular Weight: 180.21
• Beilstein: 13(3)1341
• Reaxy-Rn: 2107487
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2107487&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 Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - Aminophenyl ether - N-acetylarylamine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Acetamide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Hygroscopic
• Melt Point(°C): 109 °C
• Molecular Weight: 180.200 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.09 Da
• Monoisotopic Mass: 180.09 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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