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

CAS: 102-50-1 Cat. No.: M124249 분자식: C₈H₁₁NO 분자량: 137.18 Beilstein Registry Number: 774727 EC 번호: 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

동의어

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 |

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504751405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751405
• 정식 스마일: 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
• 이성체 SMILES: CC1=C(C=CC(=C1)OC)N
• WGK 독일: 3
• RTECS: BZ6730000
• UN 번호: 2810
• 포장 그룹: I
• 분자량: 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
    • 분류 Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Heat & Air Sensitive.
• 굴절률: 1.565
• 발화점(°F): 228.2 °F
• 발화점(°C): 124℃(255°F)
• 끓는점(°C): 249°C
• 녹는점(°C): 13°C
• 분자량: 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

자주 묻는 질문

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.