1,2-Diaminocyclohexane, mixture of cis and trans - ≥99% , CAS No.694-83-7

CAS: 694-83-7 Cat. No.: C106970 Molecular Weight: 114.19 Beilstein Registry Number: 506142 EC Number: 211-776-7

GRADE & PURITY ≥99%

Synonyms

FT-0647969 | VS-08529 | (1R,2R)-cyclohexane-1,2-diamine;(1r,2r)-(-)-1,2-cyclohexanediamine | (rel)-Oxaliplatin | DACH | DTXCID707301 | FT-0604562 | Pyridoxal phosphate (calcium salt) | 6-Methoxypyridine-2-carboxylicacidhydrazide | Cyclohexanediamine1,2-cy

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

1,2-Diaminocyclohexane undergoes non-templated reaction with homochiral as well as the racemic form of trans-1,2-diaminocyclohexane with terephthaldehyde to yield (3+3)-cyclocondensed molecular triangles. It acts as ligand and forms organotin complexes, having potential applications as metal-based antitumour drugs。
1,2-Diaminocyclohexane was used in the synthesis of chiral ruthenium(IV)-oxo complexes & bicyclic pyrazine derivatives.

Specifications

Synonyms

FT-0647969 | VS-08529 | (1R, 2R)-cyclohexane-1, 2-diamine;(1r, 2r)-(-)-1, 2-cyclohexanediamine | (rel)-Oxaliplatin | DACH | DTXCID707301 | FT-0604562 | Pyridoxal phosphate (calcium salt) | 6-Methoxypyridine-2-carboxylicacidhydrazide | Cyclohexanediamine1, 2-cy

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504750786
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750786
• Canonical Smiles: C1CCC(C(C1)N)N
• IUPAC Name: cyclohexane-1,2-diamine
• InChIKey: SSJXIUAHEKJCMH-UHFFFAOYSA-N
• INCHI: 1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
• Isomeric SMILES: C1CCC(C(C1)N)N
• WGK Germany: 1
• RTECS: GU8749500
• UN Number: 2735
• Packing Group: I
• Molecular Weight: 114.19
• Beilstein: 506142
• 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

Associated Targets(Human)

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible
• Sensitivity: Hygroscopic;Air sensitive;Light sensitive
• Refractive Index: 1.49
• Flash Point(°F): 158 °F
• Flash Point(°C): 70 °C
• Boil Point(°C): 92-93 °C/18 mmHg (lit.)
• Melt Point(°C): 2-15°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: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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