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

CAS: 92890-63-6 Cat. No.: B472057 분자식: C₁₂H₄D₈N₂ 분자량: 192.29 EC 번호: 693-875-9

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥98 atom% D

보관 조건

Room temperature

순수함

≥98 atom% D

이름과 식별자

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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