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

CAS: 1121-22-8 Cat. No.: C106462 Formula: C₆H₁₄N₂ Peso molecolare: 114.19 Beilstein Registry Number: 3193807 Numero EC: 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

Panoramica

(±)-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

Sinonimi

( 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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508812798

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

CAS alternativo

20439-47-8,1121-22-8

Numero UN

2735

Termini MeSH

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

Peso molecolare

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
    • Classe Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Miscible with water.
• Sensibilità: heat sensitive ; air sensitive; Moisture sensitive
• Punto di congelamento (°C): 19 °C
• Indice di rifrazione: 1.4885-1.4905
• Punto di infiammabilità (°F): 156.2 °F
• Punto di infiammabilità (°C): 68 °C
• Punto di ebollizione (°C): 79-81°C
• Punto di fusione (°C): 14-15°C
• Peso molecolare: 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