(1S,2S)-N1,N1-Dimethylcyclohexane-1,2-diamine - ≥98% , CAS No.894493-95-9

CAS: 894493-95-9 Cat. No.: S195654 Molecular Weight: 142.24 PubChem CID: 12188264

GRADE & PURITY ≥98%

Synonyms

(1S,2S)-(+)-N,N-DIMETHYLCYCLOHEXANE-1,2-DIAMINE | (1S,2S)-N2,N2-dimethylcyclohexane-1,2-diamine | BCP24354 | trans-N1,N1-Dimethyl-1,2-cyclohexanediamine | (1S,2S)-N,N-Dimethyl-1,2-cyclohexanediamine | (1S,2S)-N~1~,N~1~-Dimethylcyclohexane-1,2-diamine | DT

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(1S, 2S)-(+)-N, N-DIMETHYLCYCLOHEXANE-1, 2-DIAMINE | (1S, 2S)-N2, N2-dimethylcyclohexane-1, 2-diamine | BCP24354 | trans-N1, N1-Dimethyl-1, 2-cyclohexanediamine | (1S, 2S)-N, N-Dimethyl-1, 2-cyclohexanediamine | (1S, 2S)-N~1~, N~1~-Dimethylcyclohexane-1, 2-diamine | DT

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197921
• Canonical Smiles: CN(C)C1CCCCC1N
• IUPAC Name: (1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine
• InChIKey: FRDZGSBXKJXGNR-YUMQZZPRSA-N
• INCHI: 1S/C8H18N2/c1-10(2)8-6-4-3-5-7(8)9/h7-8H,3-6,9H2,1-2H3/t7-,8-/m0/s1
• Isomeric SMILES: CN(C)[C@H]1CCCC[C@@H]1N
• PubChem CID: 12188264
• Molecular Weight: 142.24

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: Trialkylamines Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Tertiary aliphatic amine - Tertiary amine - 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

• Sensitivity: Light sensitive
• Molecular Weight: 142.240 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.147 Da
• Monoisotopic Mass: 142.147 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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. Datong Wu, Cong Ma, Fei Pan, Yongxin Tao, Yong Kong.  (2021)  Strategies to Achieve a Ferrocene-Based Polymer with Reversible Redox Activity for Chiral Electroanalysis of Nonelectroactive Amino Acids.  ANALYTICAL CHEMISTRY,      [PMID:34255968] [10.1021/acs.analchem.1c01158]

2. Datong Wu, Fei Pan, Li Gao, Yongxin Tao, Yong Kong.  (2020)  Enantioselective Limiting Transport into a Fixed Cavity via Supramolecular Interaction for the Chiral Electroanalysis of Amino Acids Regardless of Electroactive Units.  ANALYTICAL CHEMISTRY,      [PMID:32957775] [10.1021/acs.analchem.0c00554]