Benzidine-(rings-d₈) - ≥98 atom% D , CAS No.92890-63-6

CAS: 92890-63-6 Cat. No.: B472057 分子式: C₁₂H₄D₈N₂ 分子量: 192.29 EC番号: 693-875-9

グレード＆純度 ≥98 atom% D

Synonyms

4,4'-Benzidine D8 (biphenyl D8) | Benzidine-(rings-d8), 98 atom % D | (~2~H_8_)[1,1'-Biphenyl]-4,4'-diamine | Benzidine-D8 500 microg/mL in Acetonitrile/Methanol (1:1) | Benzidine-rings-d8 | DTXSID40584157 | 4-(4-amino-2,3,5,6-tetradeuteriophenyl)-2,3,5,6

Storage

Room temperature

概要

Benzidine-(rings-d8) is an isotope of benzidine.

仕様

同義語

4,4'-Benzidine D8 (biphenyl D8) | Benzidine-(rings-d8), 98 atom % D | (~2~H_8_)[1,1'-Biphenyl]-4,4'-diamine | Benzidine-D8 500 microg/mL in Acetonitrile/Methanol (1:1) | Benzidine-rings-d8 | DTXSID40584157 | 4-(4-amino-2,3,5,6-tetradeuteriophenyl)-2,3,5,6

仕様と純度

≥98 atom% D

保管条件

Room temperature

純度

≥98 atom% D

名前と識別子

カノニカル・スマイル

C1=CC(=CC=C1C2=CC=C(C=C2)N)N

IUPAC Name

4-(4-amino-2,3,5,6-tetradeuteriophenyl)-2,3,5,6-tetradeuterioaniline

InChIKey

HFACYLZERDEVSX-PGRXLJNUSA-N

INCHI

1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2/i1D,2D,3D,4D,5D,6D,7D,8D

異性体SMILES

[2H]C1=C(C(=C(C(=C1C2=C(C(=C(C(=C2[2H])[2H])N)[2H])[2H])[2H])[2H])N)[2H]

分子量

192.29

Reaxy-Rn

742770

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742770&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzidines
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzidine - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• 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

化学的性質と物理的性質

• 分子量: 192.290 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.15 Da
• Monoisotopic Mass: 192.15 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• Isotope Atom Count: 8
• 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