trans-1,2-Cyclohexanediamine - ≥98% , CAS No.1121-22-8

CAS: 1121-22-8 Cat. No.: C106462 Summenformel: C₆H₁₄N₂ Molekulargewicht: 114.19 Beilstein Registry Number: 3193807 EG-Nummer: 601-163-6

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,Argon charged

Shipped In

Wet ice

Übersicht

(±)-trans-1,2-Diaminocyclohexane was condensed with aliphatic dialdehydes to form [3+3] or [2+2] macrocyclization product.
A reagent used in the synthesis of multidentate ligands, chiral auxiliaries, and chiral stationary phases

Specifications

Synonyme

( 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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508812798

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812798

Kanonisches Lächeln

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

Isomere SMILES

C1CC[C@H]([C@@H](C1)N)N

WGK Deutschland

3

Alternative CAS-Nummer

20439-47-8,1121-22-8

UN-Nummer

2735

MeSH-Eintrag

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

Molekulargewicht

114.19

Beilstein

3193807

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
    • Klasse Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water.
• Empfindlichkeit: heat sensitive ; air sensitive; Moisture sensitive
• Gefrierpunkt (°C): 19 °C
• Brechungsindex: 1.4885-1.4905
• Flammpunkt (°F): 156.2 °F
• Flammpunkt (°C): 68 °C
• Siedepunkt (°C): 79-81°C
• Schmelzpunkt (°C): 14-15°C
• Molekulargewicht: 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