1,3-Bis(aminomethyl)cyclohexane (cis- and trans- mixture) - ≥98%(GC) , CAS No.2579-20-6

CAS: 2579-20-6 Cat. No.: B153044 Peso molecular: 142.25 Número EC: 219-941-5

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0606565 | MFCD00001522 | UNII-VR58242KKB | CYCLOHEXANE, 1,3-BIS(AMINOMETHYL)- | DTXSID4041238 | AC-13333 | 1,3-Cyclohexanedimethanamine | Tox21_301175 | [3-(aminomethyl)cyclohexyl]methanamine | 1,3-Cyclohexanebis(methylamine)

Storage

Room temperature

Shipped In

Normal

Descripción general

Application

1,3-Cyclohexanebis(methylamine), mixture of isomers (1,3-BAC), is used as a cross-linking agent that can be used in the formation of fiber-based membranes for the separation of CO2. It can also be used in the synthesis of open-framework bimetallic phosphites for potential usage in molecular sieves and ion exchangers.

Specifications

Sinónimos

FT-0606565 | MFCD00001522 | UNII-VR58242KKB | CYCLOHEXANE, 1, 3-BIS(AMINOMETHYL)- | DTXSID4041238 | AC-13333 | 1, 3-Cyclohexanedimethanamine | Tox21_301175 | [3-(aminomethyl)cyclohexyl]methanamine | 1, 3-Cyclohexanebis(methylamine)

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488182386
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182386
• Sonrisas canónicas: C1CC(CC(C1)CN)CN
• IUPAC Name: [3-(aminomethyl)cyclohexyl]methanamine
• InChIKey: QLBRROYTTDFLDX-UHFFFAOYSA-N
• INCHI: 1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
• Isómeros SMILES: C1CC(CC(C1)CN)CN
• RTECS: GU7000000
• Peso molecular: 142.25
• Reaxy-Rn: 2071397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2071397&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Índice de refracción: 1.493
• Punto de inflamación (°F): 113°C
• Punto de inflamación (°C): 113°C
• Peso molecular: 142.240 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.147 Da
• Monoisotopic Mass: 142.147 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 83.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Yang Yu, Rong Zhang, Lurong Hao, Yanni Li, Baoling Wang, Dandan Ge.  (2023)  Magnetic ZIF-8 extraction using supramolecular solvent based on ferrofluid and vortex-assisted liquid–liquid microextraction of cationic dyes in beverage and river water samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109689]

2. Dongying Fu, Zhuo Chen, Yunzhen Chang, Xian-Ming Zhang.  (2023)  Polar Bilayered Dion–Jacobson Hybrid Perovskite Single Crystal with Bulk Photovoltaic Effect for Self-Driven X-ray–Ultraviolet–Visible Photodetection.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.3c02521]

3. Wangping Qin, Ruike Zhang, Yan Fu, Jie Chang.  (2023)  Enhancing flame retardancy of poly(lactic acid) with a novel fully biobased flame retardant synthesized from phytic acid and cytosine.  POLYMER INTERNATIONAL,  73  (3): (213-222).  [PMID:] [10.1002/pi.6583]

4. Zhuo Chen, Yueyue He, Yue Zhang, Xian-Ming Zhang, Dongying Fu.  (2023)  Ultraviolet–Visible-Near-Infrared Photoresponses Realized in a Polar Dion–Jacobson Hybrid Perovskite through Light-Induced Pyroelectric Effects.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.3c01701]

5. Sana Shabbir, Yanzhou Hu, Xiaoyun He, Kunlun Huang, Wentao Xu.  (2023)  Toxicity and Impact of Silica Nanoparticles on the Configuration of Gut Microbiota in Immunodeficient Mice.  Microorganisms,  11  (5): (1183).  [PMID:37317157] [10.3390/microorganisms11051183]

6. Zhiying Ouyang, Juncheng Zhu, Yang Cheng, Liangzhe Chen, Yuxin Yang, Liang Ma, Hankun Zhu, Yong Yu, Yuhao Zhang, Hongxia Wang.  (2023)  Triple-induced gardenia fruit extract-enriched gelatin/polysaccharides microgels for O/W emulsions, and food 3D printing.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.102604]

7. Yang Zhang, Yantian Tang, Lei Cai, Jing He, Lingli Chen, Kehui Ouyang, Wenjun Wang.  (2023)  Chimonanthus nitens Oliv Polysaccharides Modulate Immunity and Gut Microbiota in Immunocompromised Mice.  Oxidative Medicine and Cellular Longevity,      [PMID:36846714] [10.1155/2023/6208680]

8. Ran Zhao, Geng Li, Xiu-juan Kong, Xiu-yan Huang, Wei Li, Yao-ying Zeng, Xiao-ping Lai.  (2023)  The improvement effects of edible bird’s nest on proliferation and activation of B lymphocyte and its antagonistic effects on immunosuppression induced by cyclophosphamide.  Drug Design Development and Therapy,      [PMID:26855562] [10.2147/DDDT.S88193]

9. Xu Hu, Jinhao Sun, Xing Li, Lijun Qian, Juan Li.  (2020)  Effect of phosphorus–nitrogen compound on flame retardancy and mechanical properties of polylactic acid.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (7): (49829).  [PMID:] [10.1002/app.49829]

10. Dong Ma, Juan Li.  (2019)  Synthesis of a bio-based triazine derivative and its effects on flame retardancy of polypropylene composites.  JOURNAL OF APPLIED POLYMER SCIENCE,  137  (1): (47367).  [PMID:] [10.1002/app.47367]

11. Yi He, Lei Zheng.  (2017)  Gold Nanoparticle-Catalyzed Clock Reaction of Methylene Blue and Hydrazine for Visual Chronometric Detection of Glutathione and Cysteine.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.7b02391]

12. Dongying Fu, Yanli Ma, Zhuo Chen, Zuoming Hou, Junhua Luo.  (2024)  Confinement-Driven Bulk Photovoltaic in Lead-Free Hybrid Perovskite for Self-Powered X-Ray Detection.  Advanced Optical Materials,  12  (19): (2400193).  [PMID:] [10.1002/adom.202400193]

13. Dongying Fu, Yanli Ma, Shufang Wu, Qi Wang, Ruifang Zhao, Lin Pan, Junhua Luo.  (2024)  Pyro-phototronic Effect Enhanced Self-Powered Photoresponse in Lead-Free Hybrid Perovskite.  ACS Applied Materials & Interfaces,      [PMID:39453825] [10.1021/acsami.4c15482]

14. Dongying Fu, Zhuo Chen, Shufang Wu, Yanli Ma, Xian-Ming Zhang.  (2024)  Regulating the Stereoisomerism of Diammonium Cations to Construct Polar Dion-Jacobson Hybrid Perovskites for Self-Powered X-ray Detection.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c01010]

15. Maxim S. Molokeev, Binbin Su, Aleksandr S. Aleksandrovsky, Nicolay N. Golovnev, Mikhail E. Plyaskin, Zhiguo Xia.  (2022)  Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.1c02725]

16. Zhi Li, Xingshuang Lv, Xunling Zhu, Xiaohui Fu.  (2025)  Room temperature self-healable and recyclable polyurethanes with tunable mechanical properties by integrating dual dynamic units of hydrogen bonding and metal−lysine coordination bonds.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2025.114015]

17. Yabing Tian, Peng Wang, Jing Wang, Xujuan Huang, Shibin Shang, Jianxin Jiang, Haibo Zhang, Yuxiang Chen.  (2026)  High-strength and upcyclable bio-based epoxy foams enabled by dynamic networks for multifunctional applications.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.175268]