2-Methoxy-6-methylaniline - ≥98% , CAS No.50868-73-0

CAS: 50868-73-0 Cat. No.: M122432 분자식: C₈H₁₁NO 분자량: 137.18 Beilstein Registry Number: 13(3)1549 EC 번호: 628-709-6

GRADE & PURITY ≥98%

Synonyms

AM808236 | Q-102397 | 2-methoxy-6-methyl phenylamine | SCHEMBL288824 | AS-11091 | AB02877 | InChI=1/C8H11NO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H | 2-Methoxy-6-methylaniline | 2-methoxy-6-methyl-aniline | FT-0649399 | SELUMETINIB [INN] | 2-Methoxy-6-meth

Storage

Room temperature

Shipped In

Normal

개요

A compound that may be used in synthesis of 7-methoxy-1H-indazole.

Specifications

동의어

AM808236 | Q-102397 | 2-methoxy-6-methyl phenylamine | SCHEMBL288824 | AS-11091 | AB02877 | InChI=1/C8H11NO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H | 2-Methoxy-6-methylaniline | 2-methoxy-6-methyl-aniline | FT-0649399 | SELUMETINIB [INN] | 2-Methoxy-6-meth

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488189899

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189899

정식 스마일

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

IUPAC Name

2-methoxy-6-methylaniline

InChIKey

HKOJYPPTIPJZAZ-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

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

WGK 독일

3

분자량

137.18

Beilstein

13(3)1549

Reaxy-Rn

774980

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774980&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: 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

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 감도: Air Sensitive,Heat Sensitive
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 62°C/0.15mmHg
• 녹는점(°C): 26-29°C
• 분자량: 137.180 g/mol
• XLogP3: 1.600
• 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?

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.

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 50868-73-0, the molecular formula is C8H11NO, and the molecular weight is 137.18 g/mol. InChIKey HKOJYPPTIPJZAZ-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.