(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine - ≥96% , CAS No.135616-40-9

CAS: 135616-40-9 Cat. No.: B118000 Molecular Weight: 546.83 Beilstein Registry Number: 5464823 EC Number: 603-925-3

GRADE & PURITY ≥96%

Synonyms

SCHEMBL662108 | 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol | B4418 | D70936 | AC-24995 | SC11760 | AMY19843 | DTXSID101113716 | FYNXDGNCEBQLGC-LOYHVIPDSA-N | Phenol, 2,2'-[(1R,2R)-1,2-c

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL662108 | 2, 4-ditert-butyl-6-[[(1R, 2R)-2-[(3, 5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol | B4418 | D70936 | AC-24995 | SC11760 | AMY19843 | DTXSID101113716 | FYNXDGNCEBQLGC-LOYHVIPDSA-N | Phenol, 2, 2'-[(1R, 2R)-1, 2-c

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Lipases catalyze the hydrolysis of triacylglycerols into glycerol and free fatty acids. α-amylase catalyzes the hydrolysis of internal α-1, 4-O-glycosidic bonds in starches to release α-anomeric sugars.

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488192388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192388
• Canonical Smiles: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O
• IUPAC Name: 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
• InChIKey: FYNXDGNCEBQLGC-LOYHVIPDSA-N
• INCHI: 1S/C36H54N2O2/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12/h17-22,29-30,39-40H,13-16H2,1-12H3/t29-,30-/m1/s1
• Isomeric SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O
• WGK Germany: 3
• Molecular Weight: 546.83
• Beilstein: 5464823
• Reaxy-Rn: 9303544
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9303544&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenols Propargyl-type 1,3-dipolar organic compounds Aldimines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Phenol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

• Solubility: Soluble in Toluene
• Specific Rotation[α]: -321° (C=1,CH2Cl2)
• Melt Point(°C): 205-207°C
• Molecular Weight: 546.800 g/mol
• XLogP3: 10.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 546.419 Da
• Monoisotopic Mass: 546.419 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 793.000
• 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