Benzidine - analytical standard, for environmental analysis , CAS No.92-87-5

CAS: 92-87-5 Cat. No.: B123889 分子式: C₁₂H₁₂N₂ 分子量: 184.24 EC番号: 202-199-1

グレード＆純度 Analytical standard, for Environmental analysis

Synonyms

A844372 | MFCD00039765 | Tox21_300405 | Benzidine, 95% | Benzydyna | BBL013163 | Benzioine | BIPHENYL,4,4'-DIAMINO | Biphenyl,4,4'-diamino- | PHENYLBUTAZONE IMPURITY E [EP IMPURITY] | Benzidin [Czech] | NCGC00259908-01 | RCRA waste no. U021 | 4-13-00-0036

Storage

Room temperature

Shipped In

FedEx DG Service

概要

Benzidine (4,4′-Diaminobiphenyl) is an environmental genotoxin that posses increased risks of cancer to exposed people. Benzidine may be used as a reference material in procedures that analyze for benzidine. Benzidine can be used in studies on its mechanisms of genotoxicity.

仕様

同義語

A844372 | MFCD00039765 | Tox21_300405 | Benzidine, 95% | Benzydyna | BBL013163 | Benzioine | BIPHENYL,4,4'-DIAMINO | Biphenyl,4,4'-diamino- | PHENYLBUTAZONE IMPURITY E [EP IMPURITY] | Benzidin [Czech] | NCGC00259908-01 | RCRA waste no. U021 | 4-13-00-0036

仕様と純度

analytical standard, for environmental analysis

生化学的・生理学的メカニズム

Tumor initiator in mammalian liver and urinary bladder.

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質, 環境分析用

名前と識別子

パブケム・シド

504751248

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751248

カノニカル・スマイル

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

IUPAC Name

4-(4-aminophenyl)aniline

InChIKey

HFACYLZERDEVSX-UHFFFAOYSA-N

INCHI

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

異性体SMILES

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

UN番号

1885

包装グループ

II

分子量

184.24

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: biphenyls

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

関連ターゲット（人間）

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

Discover Target: RACGAP1

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関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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L6 (7924 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (0.32 mg/ml at 25 °C), DMSO, methanol, alcohol, and ether.
• 感度: Light sensitive.
• 沸点（°C）: 400°C
• 融点（°C）: 128°C
• 分子量: 184.240 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.1 Da
• Monoisotopic Mass: 184.1 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• 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