N-Methylcyclohexylamine - ≥99% , CAS No.100-60-7

CAS: 100-60-7 Cat. No.: M124516 Peso molecular: 113.2 Beilstein Registry Number: 1523664 Número EC: 202-869-3

GRADE & PURITY ≥99%

Synonyms

FT-0631525 | MFCD00003832 | Q23775590 | 2-cyclohexyl-methylamine | N-Cyclohexylmethylamine | N-Cyclohexyl-N-methylamine | STL183276 | AKOS000119082 | Methylcyclohexylamine | Z102766892 | N-methyl-N-cyclo-hexylamine | N-methyl-N-cyclohexyl-amine | N-Metyhc

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0631525 | MFCD00003832 | Q23775590 | 2-cyclohexyl-methylamine | N-Cyclohexylmethylamine | N-Cyclohexyl-N-methylamine | STL183276 | AKOS000119082 | Methylcyclohexylamine | Z102766892 | N-methyl-N-cyclo-hexylamine | N-methyl-N-cyclohexyl-amine | N-Metyhc

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180468
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180468
• Sonrisas canónicas: CNC1CCCCC1
• IUPAC Name: N-methylcyclohexanamine
• InChIKey: XTUVJUMINZSXGF-UHFFFAOYSA-N
• INCHI: 1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
• Isómeros SMILES: CNC1CCCCC1
• WGK Alemania: 1
• RTECS: GX1529000
• Número ONU: 2924
• Grupo de embalaje: I
• Peso molecular: 113.2
• Beilstein: 1523664
• Reaxy-Rn: 1523664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1523664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Amine - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• External Descriptors: secondary aliphatic amine

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: Air Sensitive
• Índice de refracción: 1.456
• Punto de inflamación (°F): 84.2 °F
• Punto de inflamación (°C): 29°C
• Punto de ebullición (°C): 148°C
• Punto de fusión (°C): -8°C
• Peso molecular: 113.200 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 113.12 Da
• Monoisotopic Mass: 113.12 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. Baogang Su, Qi Zhang, Linjun Shao, Shujing Zhou, Jinjing Li, Yijun Du, Chenze Qi.  (2022)  Correlation of adsorbed and embedded palladium species in chitosan composite nanofibers with their catalytic activities for Suzuki reactions.  JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS,      [PMID:] [10.1016/j.jpcs.2022.110818]

2. Kai Huang, Lin Lin Guo, Dong Fang Wu.  (2019)  Synthesis of nanorod MOF catalyst containing Cu2+ and its selective oxidation of styrene.  Materials Research Express,  6  (12): (125101).  [PMID:] [10.1088/2053-1591/ab5475]

3. Linfeng Chen, Lu Li, Dong Wu, Xike Tian, Dasha Xia, Liqiang Lu, Chao Yang, Yulun Nie.  (2019)  Construction of multi-channel fluorescence sensor array and its application for accurate identification and sensitive quantification of multiple metal ions.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.127277]

4. 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]

5. Tong Mingquan, Zhang Daliang, Fan Weibin, Xu Jun, Zhu Liangkui, Guo Wen, Yan Wenfu, Yu Jihong, Qiu Shilun, Wang Jianguo, Deng Feng, Xu Ruren.  (2015)  Synthesis of chiral polymorph A-enriched zeolite Beta with an extremely concentrated fluoride route.  Scientific Reports,  5  (1): (1-10).  [PMID:26096214] [10.1038/srep11521]