2-(4-Benzyloxy-phenyl)-ethylamine - ≥95% , CAS No.51179-05-6

CAS: 51179-05-6 Cat. No.: B330547 Peso molecular: 227.30 Número EC: 675-901-0

GRADE & PURITY ≥95%

Synonyms

NCGC00333631-01 | AB00990224-01 | FT-0639972 | MFCD00025607 | LS-11842 | AKOS000127976 | O-benzyl-tyramine | 2-(4-Benzyloxyphenyl)ethylamine | 2-(4-benzyloxy-phenyl)ethylamine | 2-(4-benzyloxy-phenyl)-ethylamine | 2-(4-Benzyloxyphenyl)-ethylamine | 2-[4-(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NCGC00333631-01 | AB00990224-01 | FT-0639972 | MFCD00025607 | LS-11842 | AKOS000127976 | O-benzyl-tyramine | 2-(4-Benzyloxyphenyl)ethylamine | 2-(4-benzyloxy-phenyl)ethylamine | 2-(4-benzyloxy-phenyl)-ethylamine | 2-(4-Benzyloxyphenyl)-ethylamine | 2-[4-(

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488188606
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188606
• Sonrisas canónicas: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN
• IUPAC Name: 2-(4-phenylmethoxyphenyl)ethanamine
• InChIKey: MKKMZZXGIORPMU-UHFFFAOYSA-N
• INCHI: 1S/C15H17NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10-12,16H2
• Isómeros SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN
• Peso molecular: 227.30
• Reaxy-Rn: 2809957
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2809957&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Phenoxy compounds Phenol ethers 2-arylethylamines Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Phenol ether - 2-arylethylamine - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Ether - Amine - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: 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: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 227.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 227.131 Da
• Monoisotopic Mass: 227.131 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 193.000
• 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