N,N'-Di-2-naphthyl-1,4-phenylenediamine - ≥96% , CAS No.93-46-9

CAS: 93-46-9 Cat. No.: D121460 Molecular Weight: 360.46 EC Number: 202-249-2

GRADE & PURITY ≥96%

Synonyms

DBNPD | Antioxidant 123 | Dwu-.beta.-naftylo-p-fenylodwuamina | Antioxidant DNP | N,N'-Bis-(2-naftyl)-p-fenylendiamin [Czech] | N1,N4-Di(naphthalen-2-yl)benzene-1,4-diamine | CAS-93-46-9 | N1,N4-Di(2-naphthyl)-1,4-benzenediamine | D0812 | SANTOWHITE CI |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DBNPD | Antioxidant 123 | Dwu-.beta.-naftylo-p-fenylodwuamina | Antioxidant DNP | N, N'-Bis-(2-naftyl)-p-fenylendiamin [Czech] | N1, N4-Di(naphthalen-2-yl)benzene-1, 4-diamine | CAS-93-46-9 | N1, N4-Di(2-naphthyl)-1, 4-benzenediamine | D0812 | SANTOWHITE CI |

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488180310
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180310
• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4
• IUPAC Name: 1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
• InChIKey: VETPHHXZEJAYOB-UHFFFAOYSA-N
• INCHI: 1S/C26H20N2/c1-3-7-21-17-25(11-9-19(21)5-1)27-23-13-15-24(16-14-23)28-26-12-10-20-6-2-4-8-22(20)18-26/h1-18,27-28H
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4
• RTECS: ST2100000
• Molecular Weight: 360.46
• Reaxy-Rn: 2224419
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2224419&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aniline and substituted anilines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aniline or substituted anilines - Monocyclic benzene moiety - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 360.400 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 360.163 Da
• Monoisotopic Mass: 360.163 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 439.000
• 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

References

1. Wanan Cai, Xiaotong Wu, Tiandi Xiao, Haijun Niu, Xuduo Bai, Cheng Wang, Wen Wang, Yanhong Zhang.  (2017)  Synthesis and optoelectronic properties of new polyarylates with 2-naphthyldiphenylamine units.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2017.07.008]