cis-1,2-Cyclohexanediamine - ≥97% , CAS No.1436-59-5

CAS: 1436-59-5 Cat. No.: C153337 Molecular Weight: 114.19 Beilstein Registry Number: 13(4)5 EC Number: 604-372-0

GRADE & PURITY ≥97%

Synonyms

cis-1,2-Cyclohexanediamine | R0ZN6K26EP | (R)(S)-1,2-Diaminocyclohexane | 1,2-Cyclohexanediamine,(1R,2S)-rel- | cis-cyclohexane-1,2-diamine | EN300-97199 | 1,2-Cis-diamino-cyclohexane | J-007850 | 1,2-Cyclohexanediamine, cis- | InChI=1/C6H14N2/c7-5-3-1-2-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used in the synthesis of platinum complexes that have high antitumor activity..It was also used in the synthesis of multidentate ligands for uranyl and transition metal complexation.

Specifications

Synonyms

cis-1, 2-Cyclohexanediamine | R0ZN6K26EP | (R)(S)-1, 2-Diaminocyclohexane | 1, 2-Cyclohexanediamine, (1R, 2S)-rel- | cis-cyclohexane-1, 2-diamine | EN300-97199 | 1, 2-Cis-diamino-cyclohexane | J-007850 | 1, 2-Cyclohexanediamine, cis- | InChI=1/C6H14N2/c7-5-3-1-2-

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504758520
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758520
• Canonical Smiles: C1CCC(C(C1)N)N
• IUPAC Name: (1S,2R)-cyclohexane-1,2-diamine
• InChIKey: SSJXIUAHEKJCMH-OLQVQODUSA-N
• INCHI: 1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6+
• Isomeric SMILES: C1CC[C@@H]([C@@H](C1)N)N
• Molecular Weight: 114.19
• Beilstein: 13(4)5
• 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: Water solubility: completely miscible
• Sensitivity: moisture & air & light sensitive
• Refractive Index: 1.49
• Flash Point(°F): 159.8 ℉(lit.)
• Flash Point(°C): 71°C(lit.)
• Boil Point(°C): 93 °C/18 mmHg
• 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. Wu Jing, Zhi Yunfei, Shan Shaoyun, Su Hongying, Wu Shuisheng, Jia Qingming.  (2015)  Polypyrrole Nanofibers Supported Cr(III)(salen)Cl Catalyst: A Novel Polymer Supported Catalyst for Alternating Copolymerization of Cyclohexene Oxide with Carbon dioxide.  CATALYSIS LETTERS,  145  (10): (1913-1921).  [PMID:] [10.1007/s10562-015-1599-z]

2. 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]