(1S,2S)-(+)-1,2-Diaminocyclohexane - ≥98% , CAS No.21436-03-3

CAS: 21436-03-3 Cat. No.: D102251 Peso molecular: 114.19 Beilstein Registry Number: 2801645 Número EC: 606-765-2

GRADE & PURITY ≥98%

Synonyms

(S,S)-(+)-1,2-Diaminocyclohexane | S | AC-7032 | Pyridoxal phosphate (calcium salt) | Z1147137780 | (1 | BCP25594 | SCHEMBL73950 | (1S,2S)-(-)-1,2-diaminocyclohexane | (+/-)-trans-1,2-Diaminocyclohexane | HY-76211 | J-650364 | 1,2-Diaminocyclohexane, (+)-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Versatile ligand for the formation of metal complexes. Used in the synthesis of chiral tropocoronands which have potential utility in asymmetric catalysis.

Specifications

Sinónimos

(S, S)-(+)-1, 2-Diaminocyclohexane | S | AC-7032 | Pyridoxal phosphate (calcium salt) | Z1147137780 | (1 | BCP25594 | SCHEMBL73950 | (1S, 2S)-(-)-1, 2-diaminocyclohexane | (+/-)-trans-1, 2-Diaminocyclohexane | HY-76211 | J-650364 | 1, 2-Diaminocyclohexane, (+)-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CCC(C(C1)N)N
• IUPAC Name: (1S,2S)-cyclohexane-1,2-diamine
• InChIKey: SSJXIUAHEKJCMH-WDSKDSINSA-N
• INCHI: 1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m0/s1
• Isómeros SMILES: C1CC[C@@H]([C@H](C1)N)N
• WGK Alemania: 3
• Peso molecular: 114.19
• Beilstein: 2801645
• 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 and 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): 104-110°C
• Punto de fusión (°C): 40-43°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. Wang Zhen-Yu, Xu Guang-Qiang, Zhou Li, Lv Cheng-Dong, Yang Ru-Lin, Dong Bing-Zhe, Wang Qing-Gang.  (2021)  Isoselective Ring-opening Polymerization of Racemic Lactide Catalyzed by N-heterocyclic Olefin/(Thio)urea Organocatalysts.  CHINESE JOURNAL OF POLYMER SCIENCE,  39  (6): (709-715).  [PMID:] [10.1007/s10118-021-2535-x]

2. Datong Wu, Wensheng Tan, Hongda Li, Zhangchen Lei, Linhong Deng, Yong Kong.  (2018)  A facile route to prepare functional mesoporous organosilica spheres with electroactive units for chiral recognition of amino acids.  ANALYST,  144  (2): (543-549).  [PMID:30411759] [10.1039/C8AN01519H]

3. Datong Wu, Wensheng Tan, Yin Yu, Baozhu Yang, Hongda Li, Yong Kong.  (2018)  A facile avenue to prepare chiral graphene sheets as electrode modification for electrochemical enantiorecognition.  ANALYTICA CHIMICA ACTA,      [PMID:30172332] [10.1016/j.aca.2018.06.029]

4. Hao-Cheng Wang, Xiao Liu, Jian-Gong Ma, Peng Cheng.  (2024)  Rapid and high-throughput synthesis of diverse MOFs with centrifuge tube grinding strategy.  GREEN CHEMISTRY,  26  (12): (7312-7319).  [PMID:] [10.1039/D4GC00865K]

5. Ying Xu, Cong Dai, Zhifeng Xu.  (2025)  Sensitive fluorescence turn-on sensing of hydroxyl radical and glucose based on the oxidative degradation of reductive organic cage.  TALANTA,      [PMID:39755078] [10.1016/j.talanta.2025.127518]

6. Datong Wu, Fei Pan, Li Gao, Yongxin Tao, Yong Kong.  (2020)  An ionic-based carbon dot for enantioselective discrimination of nonaromatic amino alcohols.  ANALYST,  145  (9): (3395-3400).  [PMID:32239048] [10.1039/D0AN00399A]

7. Wei Yi, Zhang Yan, Li Yawen, Li Chen, Wang Yuxuan, Luo Zhishan, Liu Yulian, Kang Huimin, Chen Xihan, Quan Zewei.  (2025)  Chiral recognition via symmetry-dependent luminescence in zero-dimensional hybrid copper halides.  Nature Communications,  16  (1): (1-9).  [PMID:41038855] [10.1038/s41467-025-63835-y]