N-Methyl-3,4-dimethoxybenzylamine - ≥97% , CAS No.63-64-9

CAS: 63-64-9 Cat. No.: D304240 Peso molecular: 181.24 Número EC: 627-558-3

GRADE & PURITY ≥97%

Synonyms

[(3,4-dimethoxyphenyl)methyl](methyl)amine | EN300-07494 | 3,4-Dimethoxy-N-methylbenzenemethanamine | AKOS000263994 | FT-0677891 | (3,4-Dimethoxyphenyl)-N-methylmethanamine # | DTXSID60343783 | BB 0217815 | 3,4-Dimethoxy-N-methylbenzylamine, 97% | 1-(3,4-

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

[(3, 4-dimethoxyphenyl)methyl](methyl)amine | EN300-07494 | 3, 4-Dimethoxy-N-methylbenzenemethanamine | AKOS000263994 | FT-0677891 | (3, 4-Dimethoxyphenyl)-N-methylmethanamine # | DTXSID60343783 | BB 0217815 | 3, 4-Dimethoxy-N-methylbenzylamine, 97% | 1-(3, 4-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759415
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759415
• Sonrisas canónicas: CNCC1=CC(=C(C=C1)OC)OC
• IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-methylmethanamine
• InChIKey: XQODFBIAQVJQHF-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO2/c1-11-7-8-4-5-9(12-2)10(6-8)13-3/h4-6,11H,7H2,1-3H3
• Isómeros SMILES: CNCC1=CC(=C(C=C1)OC)OC
• Peso molecular: 181.24
• Reaxy-Rn: 2365949
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2365949&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenylmethylamines Phenoxy compounds Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Secondary aliphatic amine - Ether - Secondary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Propiedades químicas y físicas

• Sensibilidad: light & Moisture sensitive
• Índice de refracción: 1.5410
• Punto de inflamación (°C): 110°C(lit.)
• Punto de ebullición (°C): 103-106 °C
• Peso molecular: 181.230 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.11 Da
• Monoisotopic Mass: 181.11 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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