N-Methylaniline - ≥98% , CAS No.100-61-8

CAS: 100-61-8 Cat. No.: M109539 Peso molecular: 107.15 Beilstein Registry Number: 741982 Número EC: 202-870-9

GRADE & PURITY ≥98%

Synonyms

n-methylphenyl amine | N-metylaniline | N-Phenylmethylamine | RP10006 | EN300-19055 | NSC 3502 | SCHEMBL4454 | BIDD:GT0230 | N-Methylaniline, analytical standard | NSC3502 | NCGC00091265-01 | N-Methylaminobenzene | BP-31133 | J-523671 | AM10675 | Anilinom

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

N-Methylaniline is a general reagent used:

• In the preparation of phosphoramidite ligands for the rhodium-catalyzed asymmetric hydroboration.

• As a formylating reagent in the C3-selective formylation of indoles.

• In the synthesis of a rhodol-based fluorescent probe, HKGreen-3, for sensing peroxynitrite.

• As a key starting material in the synthesis of AKT (protein kinase  inhibitor-IV.

Specifications

Sinónimos

n-methylphenyl amine | N-metylaniline | N-Phenylmethylamine | RP10006 | EN300-19055 | NSC 3502 | SCHEMBL4454 | BIDD:GT0230 | N-Methylaniline, analytical standard | NSC3502 | NCGC00091265-01 | N-Methylaminobenzene | BP-31133 | J-523671 | AM10675 | Anilinom

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

FedEx DG Service

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751375
• Sonrisas canónicas: CNC1=CC=CC=C1
• IUPAC Name: N-methylaniline
• InChIKey: AFBPFSWMIHJQDM-UHFFFAOYSA-N
• INCHI: 1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
• Isómeros SMILES: CNC1=CC=CC=C1
• WGK Alemania: 3
• RTECS: BY4550000
• Número ONU: 2294
• Grupo de embalaje: III
• Peso molecular: 107.15
• Beilstein: 741982
• Reaxy-Rn: 741982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
• External Descriptors: a small molecule

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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Immiscible with water.
• Sensibilidad: Light & Air sensitive
• Índice de refracción: 1.5694-1.5714
• Punto de inflamación (°F): 86℃
• Punto de inflamación (°C): 86℃
• Punto de ebullición (°C): 195°C
• Punto de fusión (°C): -57°C
• Peso molecular: 107.150 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 107.073 Da
• Monoisotopic Mass: 107.073 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• 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. Meili Ding, Pan Ma, Yang Wang, Ying Zhang, Jun Liu, Jianfeng Yao.  (2023)  Hierarchically porous bimetallic oxide derived from a metal-organic framework for the promotion of catalytic CO2 chemical fixation.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.111118]

2. 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]

3. Zhengyu Wang, Yufeng Hu, Zhiduo Ding, Hao Zhou, Jianye Zhang, Jingjing Zhan, Minghuo Wu.  (2023)  Determination of Organic Nitrogen Compounds in Gasoline by Water-Assisted Dispersive Solid-Phase Extraction (DSPE) and High-Performance Liquid Chromatography-High-Resolution Mass Spectrometry (HPLC-HRMS).  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2022.2101059]

4. Li Li, Feng Xu, Ge Sun, Mingrui Sun, Shoushi Jia, Hongmei Li, Tao Xu, Honglian Zhang, Yan Wang, Yue Guo, Taohua Liu.  (2021)  Identification of N-methylaniline based on azo coupling reaction by combining TLC with SERRS.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:33524815] [10.1016/j.saa.2021.119490]

5. 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]

6. Chuanbo Hu, Ying Li, Tingzhen Li, Yongquan Qing, Jianting Tang, Huawei Yin, Lei Hu, Lei Zhang, Yongsheng Xie, Kangning Ren.  (2019)  Fabrication of poly(N-methylaniline)/SiC-ZnO bilayer coatings onto the carbon steel substrate and studies on its anticorrosion properties.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2019.124176]

7. Zhang Yinchenxi, Duan Yixiang.  (2019)  A double-functionalized polymeric ionic liquid used as solid-phase microextraction coating for efficient aromatic amine extraction and detection with gas chromatography–mass spectrometry.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (10): (2209-2221).  [PMID:30879115] [10.1007/s00216-019-01664-x]

8. 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]

9. Yingzhuang Chen, Keyi Wang, Huihui Yang, Yixuan Liu, Shouzhuo Yao, Bo Chen, Lihua Nie, Guangming Xu.  (2012)  Synthesis of sulfo/vinyl biphasic silica hybrid monolithic capillary column and its application to on-column preconcentration for capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:22410157] [10.1016/j.chroma.2012.01.024]

10. Min-Fu Wu, Nuo Xu, Sha Li, Yi-Lan Huang, Min-Hua Wu, Jia-Dong Li, Ri-Sheng Chen, Wen-Ming Xiong, Yong-Jun Li, Hong-Tao Lei, Xin-An Huang, Zhen-Lin Xu.  (2024)  A hapten design strategy to enhance the selectivity of monoclonal antibodies against malachite green.  Frontiers in Sustainable Food Systems,      [PMID:] [10.3389/fsufs.2024.1490750]

11. Jianxiang Wu, Yuxin Chen, Wei Du, Yaming Hao, Shaoyan Wang, Ran Wang, Shuangshuang Cha, Xuejing Yang, Chang Yan, Cheng Lian, Honglai Liu, Ming Gong.  (2025)  Concentrated Zwitterion Interfaces for Selective Promotion of Electrochemical Hydroxide Oxidation.  Journal of the American Chemical Society,      [PMID:40866311] [10.1021/jacs.5c08459]

12. Youhong Ai, Faqiong Zhao, Baizhao Zeng.  (2015)  Novel proton-type ionic liquid doped polyaniline for the headspace solid-phase microextraction of amines.  ANALYTICA CHIMICA ACTA,      [PMID:26092338] [10.1016/j.aca.2015.04.028]

13. Linlin Li, Jiang Zhao, Qingmei Ge, Yin-Hui Huang, Hang Cong, Wenfeng Zhao.  (2026)  A bioinspired chitosan-polymer facilitated CO2 utilization under mild reaction conditions.  BIOMASS & BIOENERGY,      [PMID:] [10.1016/j.biombioe.2026.109082]

14. Meilin Zhao, Zhihua Huang, Shuoyang Sun, Quan Gan, Shuang Wu, Xiqi Hu, Delei Xu, Pedro Laborda, Bao Tang, Lingtian Wu.  (2026)  Bacillus velezensis LT-22 Volatiles for the Biocontrol of Phytophthora capsici: Antifungal Action and Underlying Mechanisms.  Foods,  15  (4): (753).  [PMID:41750945] [10.3390/foods15040753]

15. Yixin Huang, Yihui Zhang, Mengzhe Zhao, Shuwen Yan, Weihua Song.  (2026)  Reaction of the Peroxyacetyl Radical with Dissolved Organic Matter: Kinetics, Mechanism, and Impacts on Contaminant Degradation.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:41715887] [10.1021/acs.est.5c16661]

16. Ge-liang Xie, Yu Luo, Kai-cheng Xia, Sheng-ren Li, Lujiang Xu, Zhen Fang.  (2026)  Elucidating functional group governance for catalytic synthesis of bio-based aromatic amines.  BIOMASS & BIOENERGY,      [PMID:] [10.1016/j.biombioe.2026.109198]