N-Methyl-2-(4-methoxyphenyl)ethylamine - ≥95%(GC)(T) , CAS No.4091-50-3

CAS: 4091-50-3 Cat. No.: N159070 Molecular Weight: 165.24 EC Number: 808-145-9

GRADE & PURITY ≥95%(GC)(T)

Synonyms

4-[2-(Methylamino)ethyl]anisole | AB07595 | N,O-dimethyltyramine | 4-Methoxy-N-methylbenzeneethanamine | 4-methoxy-N-methylbenzene-ethanamine | C10H15NO | N-methyl-p-methoxyphenethylamine | N-Methyl-2-(4-methoxyphenyl)ethylamine | AC-2678 | DTXSID80193904

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-[2-(Methylamino)ethyl]anisole | AB07595 | N, O-dimethyltyramine | 4-Methoxy-N-methylbenzeneethanamine | 4-methoxy-N-methylbenzene-ethanamine | C10H15NO | N-methyl-p-methoxyphenethylamine | N-Methyl-2-(4-methoxyphenyl)ethylamine | AC-2678 | DTXSID80193904

Specifications & Purity

≥95%(GC)(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488187369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187369
• Canonical Smiles: CNCCC1=CC=C(C=C1)OC
• IUPAC Name: 2-(4-methoxyphenyl)-N-methylethanamine
• InChIKey: JCMWSVNNSPUNER-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-6,11H,7-8H2,1-2H3
• Isomeric SMILES: CNCCC1=CC=C(C=C1)OC
• RTECS: SH8110000
• Molecular Weight: 165.24
• Reaxy-Rn: 2413387
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2413387&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Secondary aliphatic amine - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• External Descriptors: aromatic ether - secondary amino compound

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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.52
• Flash Point(°C): 99 °C
• Boil Point(°C): 83 °C/2 mmHg
• Molecular Weight: 165.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115 Da
• Monoisotopic Mass: 165.115 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 108.000
• 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