2-Methoxy-N-methylaniline - ≥97% , CAS No.10541-78-3

CAS: 10541-78-3 Cat. No.: M468551 Formule: C₈H₁₁NO Poids moléculaire: 137.18 Numéro CE: 626-413-1

GRADE & PURITY ≥97%

Synonyms

N-methyl ortho-methoxyaniline | 2-Methoxy-N-methyaniline | KNZWULOUXYKBLH-UHFFFAOYSA-N | ethyl4-(bromomethyl)-3-nitrobenzoate | SCHEMBL360496 | (2-methoxy-phenyl)-methyl-amine | AD-0235 | EN300-49842 | AKOS000252453 | DTXSID80374852 | J-001419 | N-Methyl-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

N-methyl ortho-methoxyaniline | 2-Methoxy-N-methyaniline | KNZWULOUXYKBLH-UHFFFAOYSA-N | ethyl4-(bromomethyl)-3-nitrobenzoate | SCHEMBL360496 | (2-methoxy-phenyl)-methyl-amine | AD-0235 | EN300-49842 | AKOS000252453 | DTXSID80374852 | J-001419 | N-Methyl-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504761561

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761561

Sourires canoniques

CNC1=CC=CC=C1OC

IUPAC Name

2-methoxy-N-methylaniline

InChIKey

KNZWULOUXYKBLH-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CNC1=CC=CC=C1OC

Poids moléculaire

137.18

Reaxy-Rn

2802707

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802707&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenylalkylamines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 208.4 °F - closed cup
• Point d'éclair (°C): 98 °C - closed cup
• Point de fusion (°C): 30-34 °C (lit.)
• Poids moléculaire: 137.180 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, 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 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 10541-78-3, the molecular formula is C8H11NO, and the molecular weight is 137.18 g/mol. InChIKey KNZWULOUXYKBLH-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.