Cyclohexylmethanamine - ≥97%(GC) , CAS No.3218-02-8

CAS: 3218-02-8 Cat. No.: C138894 Molecular Weight: 113.2 Beilstein Registry Number: 12,12 EC Number: 221-741-8

GRADE & PURITY ≥97%(GC)

Synonyms

SCHEMBL9465 | EINECS 221-741-8 | Hexahydrobenzylamine | Aminomethylcyclohexane | aminomethyl-cyclohexane | BP-21486 | cyclohexanemethyl amine | STL167338 | c-C6H11CH2NH2 | C-Cyclohexyl-methylamine | Cyclohexanemethanamine | Cyclohexylmethanamine | BDBM501

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Cyclohexanemethylamine was used in the synthesis of Schiff′s base ligand, 4-methyl-2,6-bis(cyclohexylmethyliminomethyl)-phenol, which forms hexanuclear zinc(II) complexes. Cyclohexanemethylamine was used during the synthesis of 1-acyl-4 cycloalkyl/arylsemicarbazides and 1-acyl-5-benzyloxy/hydroxyl carbamoylcarbazides from the nonsteroidal anti-inflammatory drugs.

Specifications

Synonyms

SCHEMBL9465 | EINECS 221-741-8 | Hexahydrobenzylamine | Aminomethylcyclohexane | aminomethyl-cyclohexane | BP-21486 | cyclohexanemethyl amine | STL167338 | c-C6H11CH2NH2 | C-Cyclohexyl-methylamine | Cyclohexanemethanamine | Cyclohexylmethanamine | BDBM501

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488185312
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185312
• Canonical Smiles: C1CCC(CC1)CN
• IUPAC Name: cyclohexylmethanamine
• InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N
• INCHI: 1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
• Isomeric SMILES: C1CCC(CC1)CN
• WGK Germany: 3
• RTECS: GV6128000
• UN Number: 2734
• Packing Group: II
• Molecular Weight: 113.2
• Beilstein: 12,12
• Reaxy-Rn: 635751
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635751&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• 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

• Sensitivity: air sensitive
• Refractive Index: 1.462
• Flash Point(°F): 109 °F
• Flash Point(°C): 43°C
• Boil Point(°C): 159-161 °C
• Melt Point(°C): -8°C
• Molecular Weight: 113.200 g/mol
• XLogP3: 1.700
• 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: 26.000 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

References

1. Shibo Wang, Fengxian Cao, Pengxu Chen, Ruowei He, Anling Tong, Zhang Lan, Peng Gao, Weihai Sun, Jihuai Wu.  (2022)  Two birds with one stone: Simultaneous realization of constructed 3D/2D heterojunction and p-doping of hole transport layer for highly efficient and stable perovskite solar cells.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.139721]

2. Weihai Sun, Jinjun Zou, Xiaobing Wang, Shibo Wang, Yitian Du, Fengxian Cao, Lan Zhang, Jihuai Wu, Peng Gao.  (2021)  Enhanced photovoltage and stability of perovskite photovoltaics enabled by a cyclohexylmethylammonium iodide-based 2D perovskite passivation layer.  Nanoscale,  13  (35): (14915-14924).  [PMID:34533155] [10.1039/D1NR03624F]

3. Liyi Tang, Yangsen Xu, Shuang Tang, Yu-Xiang Yu, Aiyun Meng, Xinzhong Wang, Wei-De Zhang.  (2025)  In situ construction of Mn3O4 cocatalyst on sodium poly(heptazine imides) for enhanced photocatalytic reduction of water and synergetic oxidation of amines.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40020482] [10.1016/j.jcis.2025.02.151]