N-Benzylmethylamine - ≥97% , CAS No.103-67-3

CAS: 103-67-3 Cat. No.: B106919 Peso molecular: 121.18 Beilstein Registry Number: 606221 Número EC: 203-133-4

GRADE & PURITY ≥97%

Synonyms

Benzylmethyl-d3-amine | methyl benzylamine | EC 203-133-4 | N-Benzyl-N-methylamine | N-benzyl methylamine | SDCCGMLS-0066901.P001 | Spectrum5_000347 | (-)-methylbenzylamine | omega-Methylaminotoluene | BRD-K44558320-003-01-7 | methyl-benzyl amine | N-meth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzylmethyl-d3-amine | methyl benzylamine | EC 203-133-4 | N-Benzyl-N-methylamine | N-benzyl methylamine | SDCCGMLS-0066901.P001 | Spectrum5_000347 | (-)-methylbenzylamine | omega-Methylaminotoluene | BRD-K44558320-003-01-7 | methyl-benzyl amine | N-meth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488180519
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180519
• Sonrisas canónicas: CNCC1=CC=CC=C1
• IUPAC Name: N-methyl-1-phenylmethanamine
• InChIKey: RIWRFSMVIUAEBX-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
• Isómeros SMILES: CNCC1=CC=CC=C1
• WGK Alemania: 1
• Número ONU: 2735
• Peso molecular: 121.18
• Beilstein: 606221
• Reaxy-Rn: 606221
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606221&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: 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
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (65 g/L at 20°C).
• Sensibilidad: Air sensitive.
• Índice de refracción: 1.522
• Punto de inflamación (°F): 167 °F
• Punto de inflamación (°C): 75 °C
• Punto de ebullición (°C): 184-189°C
• Punto de fusión (°C): -55 °C
• Peso molecular: 121.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 65.000
• 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

Referencias

1. Tao Wang, Jie Li, Hanwen Yan, Guoliang Zhang, Shifeng Li.  (2023)  Mechanism and Kinetic Study on Synthesis of Methacrolein Catalyzed by Amine/Acid.  Catalysts,  13  (5): (799).  [PMID:] [10.3390/catal13050799]

2. Bo Hao, Wenbo Zhao, Xiangxin Tong, Shaoyun Shan, Yuan Chen.  (2022)  Low viscous aminoalkyl-phenyl-silane with π–π interaction and its optimal SO2 capture condition.  AICHE JOURNAL,  68  (10): (e17775).  [PMID:] [10.1002/aic.17775]

3. Chaoyue Xiong, Guodong Xue, Lijun Mao, Lianghong Gu, Chao He, Yonghao Zheng, Dongsheng Wang.  (2021)  Carbon Spacer Strategy: Control the Photoswitching Behavior of Donor–Acceptor Stenhouse Adducts.  LANGMUIR,      [PMID:33406356] [10.1021/acs.langmuir.0c03133]

4. Alain Pierre Tchameni, Binqiang Xie, Hui Zhang, Lin Zhao, Mingwang Luo, Jiantai Wen.  (2020)  Thermo-associating polymers based on cross-linked 2-acrylamido-methylpropane sulfonic acid, part A: Synthesis and solution behavior.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2020.124611]

5. Wenfeng Zhao, Xiaoping Chi, Hu Li, Jian He, Jingxuan Long, Yufei Xu, Song Yang.  (2018)  Eco-friendly acetylcholine-carboxylate bio-ionic liquids for controllable N-methylation and N-formylation using ambient CO2 at low temperatures.  GREEN CHEMISTRY,  21  (3): (567-577).  [PMID:] [10.1039/C8GC03549K]

6. Ying Zhu, Ruohong Bian, Yang Yu, Jiongjiong Li, Cheng Li, Yan Lyu, Xiaona Li, Jing Luo, Jianzhang Li.  (2024)  Aminated alkali lignin nanoparticles enabled formaldehyde-free biomass wood adhesive with high strength, toughness, and mildew resistance.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152914]

7. Hongjing Pei, Yanmei Han, Yong Liu, Xu Han.  (2024)  The highly efficient Cu(Ⅰ)-aromatic amine complex catalysts for the synthesis of poly (2,6-dimethyl-1,4-phenylene oxide) with controllable molecular weight.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127275]