trans-1,2-Cyclohexanediamine - ≥98% , CAS No.1121-22-8

CAS: 1121-22-8 Cat. No.: C106462 Molecular Weight: 114.19 Beilstein Registry Number: 3193807 EC Number: 601-163-6

GRADE & PURITY ≥98%

Synonyms

( inverted exclamation markA)-trans-1,2-Diaminocyclohexane | 1,2-Cyclohexanediamine, (1R-trans)- | (-)-(1R,2R)-1,2-Cyclohexanediamine | DTXSID60883654 | EN300-244549 | trans-1.2-diamino cyclohexane | 1,2-Cyclohexanediamine # | (1r,2r)-1,2-diaminocyclohexa

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

(±)-trans-1,2-Diaminocyclohexane was condensed with aliphatic dialdehydes to form [3+3] or [2+2] macrocyclization product.
A reagent used in the synthesis of multidentate ligands, chiral auxiliaries, and chiral stationary phases

Specifications

Synonyms

( inverted exclamation markA)-trans-1, 2-Diaminocyclohexane | 1, 2-Cyclohexanediamine, (1R-trans)- | (-)-(1R, 2R)-1, 2-Cyclohexanediamine | DTXSID60883654 | EN300-244549 | trans-1.2-diamino cyclohexane | 1, 2-Cyclohexanediamine # | (1r, 2r)-1, 2-diaminocyclohexa

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCC(C(C1)N)N
• IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine
• InChIKey: SSJXIUAHEKJCMH-PHDIDXHHSA-N
• INCHI: 1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
• Isomeric SMILES: C1CC[C@H]([C@@H](C1)N)N
• WGK Germany: 3
• Alternate CAS: 20439-47-8,1121-22-8
• UN Number: 2735
• MeSH Entry Terms: 1,2-cyclohexanediamine;1,2-cyclohexanediamine, (1R,2R)-;1,2-cyclohexanediamine, (1R-trans)-;1,2-cyclohexanediamine, (1S,2S)-;1,2-cyclohexanediamine, (1S-trans)-;1,2-cyclohexanediamine, (cis)-isomer;1,2-cyclohexanediamine, (trans)-(R)-isomer;1,2-cyclohexan
• Molecular Weight: 114.19
• Beilstein: 3193807
• Reaxy-Rn: 506142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506142&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Solubility: Miscible with water.
• Sensitivity: heat sensitive ; air sensitive; Moisture sensitive
• Freezing Point(°C): 19 °C
• Refractive Index: 1.4885-1.4905
• Flash Point(°F): 156.2 °F
• Flash Point(°C): 68 °C
• Boil Point(°C): 79-81°C
• Melt Point(°C): 14-15°C
• Molecular Weight: 114.190 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.116 Da
• Monoisotopic Mass: 114.116 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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. Chunyan Liu, Jinfan Li, Mengyun Lu, Xinwen Jia, Ajuan Yu, Shusheng Zhang.  (2023)  Chiral metal-organic cage modified polyvinylidene fluoride membrane via metal phenolic networks for enantioseparation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.125765]

2. Chu Qiqi, Wu Xinze, Chen Huaixia, Dang Xueping, Liu Xiaolan.  (2023)  Bimetallic Cluster Cu7Zn2 Functionalized Copolymer Monolithic Column for Pipette Tip Micro-Solid Phase Extraction of Eight Phthalate Esters in Edible Oil.  Food Analytical Methods,  16  (4): (689-698).  [PMID:] [10.1007/s12161-023-02450-3]

3. Cong Dai, Biao Gu, Si-Ping Tang, Pei-Hong Deng, Bo Liu.  (2021)  Fluorescent porous organic cage with good water solubility for ratiometric sensing of gold(III) ion in aqueous solution.  ANALYTICA CHIMICA ACTA,      [PMID:35057939] [10.1016/j.aca.2021.339376]

4. Cong Dai, Hai-Long Qian, Xiu-Ping Yan.  (2021)  Facile room temperature synthesis of ultra-small sized porous organic cages for fluorescent sensing of copper ion in aqueous solution.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:34492808] [10.1016/j.jhazmat.2021.125860]

5. Chuanzhu Gao, Tianshuai Wang, Ji Chen, Yan Zhang, Bo Yang, Shaohua Gou.  (2014)  Preparation and in vitro cytotoxicity of oxaliplatin derivatives with chiral amino acid as the carrier group.  JOURNAL OF COORDINATION CHEMISTRY,      [PMID:] [10.1080/00958972.2014.945922]

6. Juanqiong Ma, Wenyi Huang, Xinyu Huang, Na Yang, Jing Gong, Zhiyong Xie, Gongke Li, Qiongfeng Liao, Yanlong Chen.  (2024)  Construction of dual-chiral covalent organic frameworks for enantioselective separation.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38797135] [10.1016/j.chroma.2024.465014]