2,6-Bis[1-(2,6-di-i-propylphenylimino)ethyl]pyridine - ≥98% , CAS No.204203-14-5

CAS: 204203-14-5 Cat. No.: B281468 Molecular Weight: 481.69 EC Number: 803-209-2

GRADE & PURITY ≥98%

Synonyms

(2,6-bis[1-[(2,6-diisopropylphenyl)imino]ethyl]pyridine) | MFCD01862436 | FT-0643904 | SC11805 | J-400189 | 2,6-BIS[1-(2,6-DI-I-PROPYLPHENYLIMINO)ETHYL]PYRIDINE;2,6-BIS[1-(2,6-DIISOPROPYLPHENYLIMINO)ETHYL]PYRIDINE | NVPUVWBDTWBFRF-UHFFFAOYSA-N | E77210 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(2, 6-bis[1-[(2, 6-diisopropylphenyl)imino]ethyl]pyridine) | MFCD01862436 | FT-0643904 | SC11805 | J-400189 | 2, 6-BIS[1-(2, 6-DI-I-PROPYLPHENYLIMINO)ETHYL]PYRIDINE;2, 6-BIS[1-(2, 6-DIISOPROPYLPHENYLIMINO)ETHYL]PYRIDINE | NVPUVWBDTWBFRF-UHFFFAOYSA-N | E77210 |

Specifications & Purity

≥98%

Storage

Store at 2-8°C

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: 504765749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765749
• Canonical Smiles: CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C2=NC(=CC=C2)C(=NC3=C(C=CC=C3C(C)C)C(C)C)C
• IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pyridin-2-yl]ethanimine
• InChIKey: NVPUVWBDTWBFRF-UHFFFAOYSA-N
• INCHI: 1S/C33H43N3/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8/h11-23H,1-10H3
• Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C2=NC(=CC=C2)C(=NC3=C(C=CC=C3C(C)C)C(C)C)C
• Molecular Weight: 481.69
• Reaxy-Rn: 14477731
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14477731&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Pyridines and derivatives Secondary ketimines Heteroaromatic compounds Azomethines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpropane - Cumene - Pyridine - Heteroaromatic compound - Secondary ketimine - Azomethine - Ketimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene 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

• Molecular Weight: 481.700 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 481.346 Da
• Monoisotopic Mass: 481.346 Da
• Topological Polar Surface Area: 37.600 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 641.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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