(1R,2R)-(-)-1,2-Diaminocyclohexane - ≥98% , CAS No.20439-47-8

CAS: 20439-47-8 Cat. No.: D102252 Peso molecular: 114.19 Beilstein Registry Number: 2801643 Número EC: 606-556-6

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,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

(1R,2R)-(-)-1,2-Diaminocyclohexane is a versatile ligand used for the formation of metal complexes and in the synthesis of chiral tropocoronands which have potential utility in asymmetric catalysis.

Specifications

Sinónimos

( 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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1CC[C@H]([C@@H](C1)N)N
• WGK Alemania: 3
• CAS alternativo: 20439-47-8,1121-22-8
• Número ONU: 3259
• Términos de entrada MeSH: 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
• Peso molecular: 114.19
• Beilstein: 2801643
• 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
    • 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: 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
• 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: 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.Soluble in methanol
• Sensibilidad: Air Sensitive，light sensitive，Moisture sensitive.
• Rotación específica [α]: -25.5 ° (C=5, 1mol/L HCl)
• Punto de inflamación (°F): 158 °F
• Punto de inflamación (°C): 70 °C
• Punto de ebullición (°C): 78 °C/13 mmHg
• Punto de fusión (°C): 43°C
• Peso molecular: 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

Referencias

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. 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]

3. 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]

4. Huanxin Li, Xiaoqiang Gao, Yonghui Dou, Li Xu, Guoji Liu.  (2018)  Investigation of liquid-liquid equilibrium for (1-butanol or 1-pentanol + (−)-trans-Cyclohexane-1,2-diamine + water) ternary systems at 298.2 K to 318.2 K.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2018.12.047]

5. Huanxin Li, Junwei Zhang, Yonghui Dou, Li Xu, Guoji Liu.  (2018)  Measurement and thermodynamic modelling of ternary liquid-liquid equilibrium for extraction of (1R,2R)-(−)-1,2-Diaminocyclohexane from aqueous solution with C4–C5 alcohols at different temperatures.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2018.01.013]

6. 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]