2'-Amino-4',5'-dimethoxyacetophenone - ≥98% , CAS No.4101-30-8

CAS: 4101-30-8 Cat. No.: A151645 Fórmula: C₁₀H₁₃NO₃ Peso molecular: 195.22 Número CE: 670-284-4

GRAU & PUREZA ≥98%

Synonyms

1-(2-amino-4,5-dimethoxyphenyl)ethan-1-one | SCHEMBL705665 | EN300-83234 | Siofor | 1-(2-Amino-4,5-dimethoxyphenyl)ethanone | 1-(2-Amino-4,5-dimethoxy-phenyl)-ethanone | FS-3930 | Z1201617276 | AC-14530 | STK227905 | 1071574-51-0 | 2 inverted exclamation

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Especificações

Sinónimos

1-(2-amino-4,5-dimethoxyphenyl)ethan-1-one | SCHEMBL705665 | EN300-83234 | Siofor | 1-(2-Amino-4,5-dimethoxyphenyl)ethanone | 1-(2-Amino-4,5-dimethoxy-phenyl)-ethanone | FS-3930 | Z1201617276 | AC-14530 | STK227905 | 1071574-51-0 | 2 inverted exclamation

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488190634

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190634

Sorrisos canónicos

CC(=O)C1=CC(=C(C=C1N)OC)OC

IUPAC Name

1-(2-amino-4,5-dimethoxyphenyl)ethanone

InChIKey

KGKWXEGYKGTMAK-UHFFFAOYSA-N

INCHI

1S/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3

SMILES isoméricas

CC(=O)C1=CC(=C(C=C1N)OC)OC

Peso molecular

195.22

Reaxy-Rn

391380

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=391380&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Dimethoxybenzenes Methoxyanilines Aminophenyl ethers Acetophenones Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Vinylogous amides Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - O-dimethoxybenzene - Dimethoxybenzene - Acetophenone - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Ether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Primary amine - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: air sensitive；Light Sensitive
• Ponto de fusão (°C): 104-108°C
• Peso molecular: 195.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.09 Da
• Monoisotopic Mass: 195.09 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 208.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, 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 4101-30-8, the molecular formula is C10H13NO3, and the molecular weight is 195.22 g/mol. InChIKey KGKWXEGYKGTMAK-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.