4,4'-Dibutoxyazoxybenzene , CAS No.17051-01-3

CAS: 17051-01-3 Cat. No.: D405565 분자식: C₂₀H₂₆N₂O₃ 분자량: 342.44

Synonyms

AKOS015839669 | FT-0728176 | D1096 | Diazene, bis(4-butoxyphenyl)-, 1-oxide | (Z)-1,2-bis(4-butoxyphenyl)diazene oxide | Azoxy-bis-(p-n-butoxybenzene) | T70409 | (4-butoxyphenyl)-(4-butoxyphenyl)imino-oxidoazanium | 4,4'-Dibutoxyazoxybenzene | (NZ,Z)-4-bu

Storage

Room temperature

Specifications

동의어

AKOS015839669 | FT-0728176 | D1096 | Diazene, bis(4-butoxyphenyl)-, 1-oxide | (Z)-1,2-bis(4-butoxyphenyl)diazene oxide | Azoxy-bis-(p-n-butoxybenzene) | T70409 | (4-butoxyphenyl)-(4-butoxyphenyl)imino-oxidoazanium | 4,4'-Dibutoxyazoxybenzene | (NZ,Z)-4-bu

보관 조건

Room temperature

이름과 식별자

정식 스마일

CCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCC)[O-]

IUPAC Name

(4-butoxyphenyl)-(4-butoxyphenyl)imino-oxidoazanium

InChIKey

DWRXFZDFCLDVQG-UHFFFAOYSA-N

INCHI

1S/C20H26N2O3/c1-3-5-15-24-19-11-7-17(8-12-19)21-22(23)18-9-13-20(14-10-18)25-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3

이성체 SMILES

CCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCC)[O-]

분자량

342.44

Reaxy-Rn

962619

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=962619&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tertiary aromatic amine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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

화학 및 물리적 특성

• 분자량: 342.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 342.194 Da
• Monoisotopic Mass: 342.194 Da
• Topological Polar Surface Area: 59.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 373.000
• 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