Benzhydrylamine - ≥97% , CAS No.91-00-9

CAS: 91-00-9 Cat. No.: B109909 Fórmula: C₁₃H₁₃N Peso molecular: 183.25 Beilstein Registry Number: 776434 Número EC: 202-032-2

GRADE & PURITY ≥97%

Synonyms

A25935 | Amikacin sulfate, Antibiotic for Culture Media Use Only | alpha-phenyl-benzenemethanamin;alpha-phenylbenzenemethanamine | DTXSID00238346 | Aminodiphenylmethane | aminodiphenyl-methane | Q-103472 | Benzenemethanamine, alpha-phenyl- | (Diphenylmeth

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Application：

Benzhydrylamine is useful for chiral resolution. It acts as an active pharmaceutical ingredient intermediate. It is also employed as a building block for chemical synthesis. Further, it is used in the preparation of furan-2-carboxylic acid benzhydrylamide by reacting with furan-2-carbonyl chloride.

Specifications

Sinónimos

A25935 | Amikacin sulfate, Antibiotic for Culture Media Use Only | alpha-phenyl-benzenemethanamin;alpha-phenylbenzenemethanamine | DTXSID00238346 | Aminodiphenylmethane | aminodiphenyl-methane | Q-103472 | Benzenemethanamine, alpha-phenyl- | (Diphenylmeth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488180254
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180254
• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=CC=CC=C2)N
• IUPAC Name: diphenylmethanamine
• InChIKey: MGHPNCMVUAKAIE-UHFFFAOYSA-N
• INCHI: 1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N
• WGK Alemania: 3
• RTECS: DA4407300
• Peso molecular: 183.25
• Beilstein: 776434
• Reaxy-Rn: 776434
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=776434&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by 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

Objetivos asociados (no humanos)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with chloroform, dimethylsulfoxide and methanol. Slightly miscible with water.
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.595
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 304 °C
• Punto de fusión (°C): 12 °C
• Peso molecular: 183.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 137.000
• 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

Referencias

1. Guozhi Zhu, Song Shi, Xiao Feng, Li Zhao, Yinwei Wang, Jieqi Cao, Jin Gao, Jie Xu.  (2022)  Switching Amine Oxidation from Imines to Nitriles by Carbon–Hydrogen Bond Activation via Strong Base Modified Strategy.  ACS Applied Materials & Interfaces,      [PMID:36394950] [10.1021/acsami.2c13418]

2. Zhengwen Wei, Xiang-fei Lü, Wei Wang, Giuseppe Mele, Yifan Du, Zhen-Yi Jiang.  (2022)  Insight into efficient removal of phenanthrene by Fe3O4-benzhydrylamine nanocomposite: A combined experimental and DFT studies.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.136824]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% 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 91-00-9, the molecular formula is C13H13N, and the molecular weight is 183.25 g/mol. InChIKey MGHPNCMVUAKAIE-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.