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

CAS: 21436-03-3 Cat. No.: D102251 Molecular Weight: 114.19 Beilstein Registry Number: 2801645 EC Number: 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

Overview

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

Specifications

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, (+)-

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: (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
• Isomeric SMILES: C1CC[C@@H]([C@H](C1)N)N
• WGK Germany: 3
• Molecular Weight: 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
    • 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: Soluble in water and methanol.
• Sensitivity: Air sensitive. light sensitive,Moisture sensitive
• Specific Rotation[α]: 25.5 ° (C=5, 1mol/L HCl)
• Flash Point(°F): 158 °F
• Flash Point(°C): 70° C
• Boil Point(°C): 104-110°C
• Melt Point(°C): 40-43°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

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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]

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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]