2-Methoxy-5-methylaniline - ≥98%(GC) , CAS No.120-71-8

CAS: 120-71-8 Cat. No.: M131613 分子式: C₈H₁₁NO 分子量: 137.18 Beilstein Registry Number: 637071 EC番号: 204-419-1

GRADE & PURITY ≥98%(GC)

Synonyms

AC-23656 | UNII-4C11L78UR3 | AKOS000119398 | MFCD00007815 | 4-Methoxy-m-toluidine | 2-Amino-4-methylanisole | Tox21_201907 | CHEBI:82307 | Cresidine | M-AMINO-P-CRESOL METHYL ESTER | NCGC00090863-01 | p-Kresidin [Czech] | 2-Methoxy-5-methylaniline 100 mic

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

同義語

AC-23656 | UNII-4C11L78UR3 | AKOS000119398 | MFCD00007815 | 4-Methoxy-m-toluidine | 2-Amino-4-methylanisole | Tox21_201907 | CHEBI:82307 | Cresidine | M-AMINO-P-CRESOL METHYL ESTER | NCGC00090863-01 | p-Kresidin [Czech] | 2-Methoxy-5-methylaniline 100 mic

仕様と純度

≥98%(GC)

保管条件

Room temperature,Argon charged

入荷

FedEx DG Service

純度

≥98%(GC)

名前と識別子

パブケム・シド

488180795

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180795

カノニカル・スマイル

CC1=CC(=C(C=C1)OC)N

IUPAC Name

2-methoxy-5-methylaniline

InChIKey

WXWCDTXEKCVRRO-UHFFFAOYSA-N

INCHI

1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3

異性体SMILES

CC1=CC(=C(C=C1)OC)N

WGKドイツ

3

RTECS

BZ6720000

分子量

137.18

Beilstein

637071

Reaxy-Rn

637071

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Aminotoluenes Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aminotoluene - Aniline or substituted anilines - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• External Descriptors: methoxybenzene

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）

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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: Solubility in water: Practically Insoluble; Degree of Solubility in water: 4.7 g/l 25 °C; Soluble in Benzene,Alcohol,Ether; Very slightly soluble in Chloroform
• 感度: Air Sensitive
• 引火点（°F）: 230.0 °F - closed cup
• 引火点（°C）: 110 °C - closed cup
• 沸点（°C）: 235°C
• 融点（°C）: 52℃
• 分子量: 137.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 120-71-8, the molecular formula is C8H11NO, and the molecular weight is 137.18 g/mol. InChIKey WXWCDTXEKCVRRO-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.