3,3'-Diaminobenzophenone - ≥95%(HPLC)(T) , CAS No.611-79-0

CAS: 611-79-0 Cat. No.: D155072 Fórmula: C₁₃H₁₂N₂O Peso molecular: 212.25 Beilstein Registry Number: 14(3)225 Número CE: 210-281-3

GRADE & PURITY ≥95%(HPLC)(T)

Synonyms

3,3'-Diaminobenzophenone, >/=95% | 3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphonium | SCHEMBL125621 | BIS-(3-AMINO-PHENYL)-METHANONE | Bis(3-aminophenyl)methanone | Oprea1_824643 | 3,3//'-Diaminobenzophenone | CBMicro_014188 | AE-641/019760

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

3,3'-Diaminobenzophenone, >/=95% | 3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphonium | SCHEMBL125621 | BIS-(3-AMINO-PHENYL)-METHANONE | Bis(3-aminophenyl)methanone | Oprea1_824643 | 3,3//'-Diaminobenzophenone | CBMicro_014188 | AE-641/019760

Especificações e pureza

≥95%(HPLC)(T)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%(HPLC)(T)

Nomes e identificadores

• Pubchem Sid: 504754341
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754341
• Sorrisos canónicos: C1=CC(=CC(=C1)N)C(=O)C2=CC(=CC=C2)N
• IUPAC Name: bis(3-aminophenyl)methanone
• InChIKey: TUQQUUXMCKXGDI-UHFFFAOYSA-N
• INCHI: 1S/C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,14-15H2
• SMILES isoméricas: C1=CC(=CC(=C1)N)C(=O)C2=CC(=CC=C2)N
• Peso molecular: 212.25
• Beilstein: 14(3)225
• Reaxy-Rn: 2837605
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2837605&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Aniline and substituted anilines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Aniline or substituted anilines - Aryl ketone - Benzoyl - Ketone - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Alvos associados (não humanos)

Slc14a1 Urea transporter 1 (62 Activities)

Discover Target: Slc14a1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water
• Sensibilidade: Air sensitive
• Ponto de fusão (°C): 153 °C
• Peso molecular: 212.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.095 Da
• Monoisotopic Mass: 212.095 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 230.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. 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 611-79-0, the molecular formula is C13H12N2O, and the molecular weight is 212.25 g/mol. InChIKey TUQQUUXMCKXGDI-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.