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

CAS: 103-67-3 Cat. No.: B106919 Molecular Weight: 121.18 Beilstein Registry Number: 606221 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488180519
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180519
• Canonical Smiles: 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
• Isomeric SMILES: CNCC1=CC=CC=C1
• WGK Germany: 1
• UN Number: 2735
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (65 g/L at 20°C).
• Sensitivity: Air sensitive.
• Refractive Index: 1.522
• Flash Point(°F): 167 °F
• Flash Point(°C): 75 °C
• Boil Point(°C): 184-189°C
• Melt Point(°C): -55 °C
• Molecular Weight: 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

References

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]