[1,1':3',1''-Terphenyl]-2'-amine - ≥95% , CAS No.87666-57-7

CAS: 87666-57-7 Cat. No.: T590472 Molecular Weight: 245.3 EC Number: 804-369-6 PubChem CID: 11010226

GRADE & PURITY ≥95%

Synonyms

BS-53037 | [1,1':3',1''-Terphenyl]-2'-amine | DTXSID20451797 | [1,1 inverted exclamation mark :3 inverted exclamation mark ,1 inverted exclamation mark inverted exclamation mark -Terphenyl]-2 inverted exclamation mark -amine | AKOS015840529 | DSQMLISBVUT

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

BS-53037 | [1, 1':3', 1''-Terphenyl]-2'-amine | DTXSID20451797 | [1, 1 inverted exclamation mark :3 inverted exclamation mark , 1 inverted exclamation mark inverted exclamation mark -Terphenyl]-2 inverted exclamation mark -amine | AKOS015840529 | DSQMLISBVUT

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)N
• IUPAC Name: 2,6-diphenylaniline
• InChIKey: DSQMLISBVUTWJB-UHFFFAOYSA-N
• INCHI: 1S/C18H15N/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13H,19H2
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)N
• PubChem CID: 11010226
• Molecular Weight: 245.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: M-terphenyls
• Alternative Parents: Biphenyls and derivatives Aniline and substituted anilines Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Meta-terphenyl - Biphenyl - Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
• 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: 245.300 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.12 Da
• Monoisotopic Mass: 245.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 237.000
• 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