4-Methoxy-2-methylaniline - ≥98%(GC) , CAS No.102-50-1

CAS: 102-50-1 Cat. No.: M124249 分子式: C₈H₁₁NO 分子量: 137.18 Beilstein Registry Number: 774727 EC番号: 203-036-7

GRADE & PURITY ≥98%(GC)

Synonyms

Q27155934 | 2-methyl-4-methoxyphenylamine | 2-Methyl-p-anisidine | Benzenamine, 4-methoxy-2-methyl- | Tox21_303531 | 2-methyl-4-methoxybenzenamine | BRN 0774727 | NCI-C02993 | (2-METHYL-4-(METHYLOXY)PHENYL)AMINE | DTXSID2020349 | GEO-01690 | EN300-65896 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

Q27155934 | 2-methyl-4-methoxyphenylamine | 2-Methyl-p-anisidine | Benzenamine, 4-methoxy-2-methyl- | Tox21_303531 | 2-methyl-4-methoxybenzenamine | BRN 0774727 | NCI-C02993 | (2-METHYL-4-(METHYLOXY)PHENYL)AMINE | DTXSID2020349 | GEO-01690 | EN300-65896 |

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

パブケム・シド

504751405

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751405

カノニカル・スマイル

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

IUPAC Name

4-methoxy-2-methylaniline

InChIKey

CDGNLUSBENXDGG-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

WGKドイツ

3

RTECS

BZ6730000

UN番号

2810

包装グループ

I

分子量

137.18

Beilstein

774727

Reaxy-Rn

774727

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774727&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）

Lymphoblastoid cell (5959 Activities)

Explore this target

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

• 感度: Heat & Air Sensitive.
• 屈折率: 1.565
• 引火点（°F）: 228.2 °F
• 引火点（°C）: 124℃(255°F)
• 沸点（°C）: 249°C
• 融点（°C）: 13°C
• 分子量: 137.180 g/mol
• XLogP3: 1.200
• 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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 102-50-1, the molecular formula is C8H11NO, and the molecular weight is 137.18 g/mol. InChIKey CDGNLUSBENXDGG-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.