1-(4-Ethylphenyl)-N-methylmethanamine - ≥98% , CAS No.568577-84-4

CAS: 568577-84-4 Cat. No.: E193986 Summenformel: C₁₀H₁₅N Molekulargewicht: 149.23

GRADE & PURITY ≥98%

Synonyms

AKOS000264096 | SCHEMBL2848915 | MFCD04115409 | N-Methyl-4-ethylbenzylamine | AC-2744 | Benzenemethanamine, 4-ethyl-N-methyl- | 1-(4-ethylphenyl)-N-methylmethanamine | HMS1785B04 | EN300-34158 | SY002785 | DTXSID00366178 | [(4-ethylphenyl)methyl](methyl)a

Storage

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

Shipped In

Wet ice

Specifications

Synonyme

AKOS000264096 | SCHEMBL2848915 | MFCD04115409 | N-Methyl-4-ethylbenzylamine | AC-2744 | Benzenemethanamine, 4-ethyl-N-methyl- | 1-(4-ethylphenyl)-N-methylmethanamine | HMS1785B04 | EN300-34158 | SY002785 | DTXSID00366178 | [(4-ethylphenyl)methyl](methyl)a

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528765812

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765812

Kanonisches Lächeln

CCC1=CC=C(C=C1)CNC

IUPAC Name

1-(4-ethylphenyl)-N-methylmethanamine

InChIKey

JCSDSVXBTRWEJS-UHFFFAOYSA-N

INCHI

1S/C10H15N/c1-3-9-4-6-10(7-5-9)8-11-2/h4-7,11H,3,8H2,1-2H3

Isomere SMILES

CCC1=CC=C(C=C1)CNC

Molekulargewicht

149.23

Reaxy-Rn

3235926

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235926&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 149.230 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 93.000
• 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