3-Methoxy-N-methylaniline - ≥97% , CAS No.14318-66-2

CAS: 14318-66-2 Cat. No.: M167275 Summenformel: C₈H₁₁NO Molekulargewicht: 137.18 EG-Nummer: 238-259-9

GRADE & PURITY ≥97%

Synonyms

N-methy-3-methoxyaniline | N-methyl-3-methoxyaniline | SY072816 | AKOS000257641 | EINECS 238-259-9 | 3-Methoxy-N-methylaniline | A885005 | Benzenamine, 3-methoxy-N-methyl- | ?3-Methoxy-N-methylaniline | N-(3-methoxyphenyl)-N-methylamine | N-methyl m-anisi

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

N-methy-3-methoxyaniline | N-methyl-3-methoxyaniline | SY072816 | AKOS000257641 | EINECS 238-259-9 | 3-Methoxy-N-methylaniline | A885005 | Benzenamine, 3-methoxy-N-methyl- | ?3-Methoxy-N-methylaniline | N-(3-methoxyphenyl)-N-methylamine | N-methyl m-anisi

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488186239

Kanonisches Lächeln

CNC1=CC(=CC=C1)OC

IUPAC Name

3-methoxy-N-methylaniline

InChIKey

ZFMZSZMUFWRAOG-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CNC1=CC(=CC=C1)OC

WGK Deutschland

2

Molekulargewicht

137.18

Reaxy-Rn

2689687

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2689687&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.5690 (lit.)
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 239-240 °C (lit.)
• Molekulargewicht: 137.180 g/mol
• XLogP3: 2.300
• 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