2,2′-Bifenildiamina - ≥96% , CAS No.1454-80-4

CAS: 1454-80-4 Cat. No.: B167336 Fórmula: C₁₂H₁₂N₂ Peso molecular: 184.24 Beilstein Registry Number: 1949580 Número EC: 685-728-2

GRADE & PURITY ≥96%

Synonyms

SY234655 | 2-(2-aminophenyl)aniline | AKOS000269002 | 0DJ0J26MNW | 2'-Amino[1,1'-biphenyl]-2-ylamine # | DTXSID00163003 | LS-03557 | 4-13-00-00356 (Beilstein Handbook Reference) | Biphenyl-2,2'-diamine | SCHEMBL169281 | UNII-0DJ0J26MNW | BRN 1949579 | HMS

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY234655 | 2-(2-aminophenyl)aniline | AKOS000269002 | 0DJ0J26MNW | 2'-Amino[1,1'-biphenyl]-2-ylamine # | DTXSID00163003 | LS-03557 | 4-13-00-00356 (Beilstein Handbook Reference) | Biphenyl-2,2'-diamine | SCHEMBL169281 | UNII-0DJ0J26MNW | BRN 1949579 | HMS

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

488182059

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182059

Sonrisas canónicas

C1=CC=C(C(=C1)C2=CC=CC=C2N)N

IUPAC Name

2-(2-aminophenyl)aniline

InChIKey

HOLGXWDGCVTMTB-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2N)N

WGK Alemania

3

Peso molecular

184.24

Beilstein

1949580

Reaxy-Rn

1949579

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1949579&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

Discover Target: L3MBTL1

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

Objetivos asociados (no humanos)

clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Discover Target: clpP

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: air sensitive ;light sensitive
• Punto de ebullición (°C): 151°C/3mmHg
• Punto de fusión (°C): 78 °C
• Peso molecular: 184.240 g/mol
• XLogP3: 2.400
• 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: 161.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1454-80-4, the molecular formula is C12H12N2, and the molecular weight is 184.24 g/mol. InChIKey HOLGXWDGCVTMTB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.