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

CAS: 611-79-0 Cat. No.: D155072 Formule: C₁₃H₁₂N₂O Poids moléculaire: 212.25 Beilstein Registry Number: 14(3)225 Numéro 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

Synonymes

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

Spécifications et pureté

≥95%(HPLC)(T)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%(HPLC)(T)

Noms et identifiants

• Pubchem Sid: 504754341
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754341
• Sourires canoniques: 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
• Isomères SMILES: C1=CC(=CC(=C1)N)C(=O)C2=CC(=CC=C2)N
• Poids moléculaire: 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
• Description: 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

Cibles associées (non humaines)

Slc14a1 Urea transporter 1 (62 Activities)

Discover Target: Slc14a1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water
• Sensibilité: Air sensitive
• Point de fusion (°C): 153 °C
• Poids moléculaire: 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

Foire aux questions

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.