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

CAS: 1436-59-5 Cat. No.: C153337 Formule: C₆H₁₄N₂ Poids moléculaire: 114.19 Beilstein Registry Number: 13(4)5 Numéro CE: 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

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

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

Synonymes

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-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504758520

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758520

Sourires canoniques

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+

Isomères SMILES

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

Poids moléculaire

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
    • 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
• 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

Propriétés chimiques et physiques

• Solubilité: Water solubility: completely miscible
• Sensibilité: moisture & air & light sensitive
• Indice de réfraction: 1.49
• Point d'éclair (°F): 159.8 ℉(lit.)
• Point d'éclair (°C): 71°C(lit.)
• Point d'ébullition (°C): 93 °C/18 mmHg
• Poids moléculaire: 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