2-Methoxybenzylamine - ≥97% , CAS No.6850-57-3

CAS: 6850-57-3 Cat. No.: M113482 Peso molecular: 137.18 Beilstein Registry Number: 1100448 Número EC: 229-941-7

GRADE & PURITY ≥97%

Synonyms

(O-ANISYLMETHYL)AMINE | (2-methoxyphenyl)methylamine | (2-methoxyphenyl)-methyl-amine | {[2-(methoxy)phenyl]methyl}amine | O-METHOXYBENZENEMETHANAMINE | 2-methyoxybenzylamine | cholest-5-en-3beta,24S-diol | F14886 | SCHEMBL39970 | (2-methoxyphenyl)methyla

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

2-Methoxybenzylamine was used in the preparation of 6-substituted purines.

Specifications

Sinónimos

(O-ANISYLMETHYL)AMINE | (2-methoxyphenyl)methylamine | (2-methoxyphenyl)-methyl-amine | {[2-(methoxy)phenyl]methyl}amine | O-METHOXYBENZENEMETHANAMINE | 2-methyoxybenzylamine | cholest-5-en-3beta, 24S-diol | F14886 | SCHEMBL39970 | (2-methoxyphenyl)methyla

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488185946
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185946
• Sonrisas canónicas: COC1=CC=CC=C1CN
• IUPAC Name: (2-methoxyphenyl)methanamine
• InChIKey: PXJACNDVRNAFHD-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
• Isómeros SMILES: COC1=CC=CC=C1CN
• WGK Alemania: 3
• Número ONU: 2735
• Peso molecular: 137.18
• Beilstein: 1100448
• Reaxy-Rn: 1100448
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100448&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Air sensitive
• Índice de refracción: 1.548
• Punto de inflamación (°F): 212 °F
• Punto de inflamación (°C): 100℃
• Punto de ebullición (°C): 227°C
• Peso molecular: 137.180 g/mol
• XLogP3: 0.900
• 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: 35.300 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

Referencias

1. Zhizhu Yue, Yonghe Yu, Tianjun Hu, Ying Wang, Lulu Cao, Yanxia Zhang, Yuhong Chang, Linjuan Pei, Jianfeng Jia.  (2024)  One-step solvothermal formation of Cu - Doped Cu2WO4(OH)2 nanocatalysts for efficient photocatalytic amine oxidation coupling.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2024.101932]