3,3-Diphenylpropylamine - ≥98% , CAS No.5586-73-2

CAS: 5586-73-2 Cat. No.: D135644 Fórmula: C₁₅H₁₇N Peso molecular: 211.31 Número CE: 226-984-3

GRADE & PURITY ≥98%

Synonyms

MFCD00008202 | EINECS 226-984-3 | 3,3-diphenylpropan-1-amine | NSC137832 | NSC-137832 | Benzenepropanamine, .gamma.-phenyl- | Propylamine, 3,3-diphenyl- | 3,3-Diphenylpropylamine | NSC 137832 | C31E561S64 | UNII-C31E561S64 | α-(2-Aminoethyl)diphenylmethan

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

3,3-Diphenylpropylamine was used as internal standard for simultaneous determination of D- and L-modafinil in human plasma using stereospecific high-performance liquid chromatographic method. It was used as starting reagent in the synthesis of 3,3-diphenylpropylisocyanate

Specifications

Sinónimos

MFCD00008202 | EINECS 226-984-3 | 3,3-diphenylpropan-1-amine | NSC137832 | NSC-137832 | Benzenepropanamine, .gamma.-phenyl- | Propylamine, 3,3-diphenyl- | 3,3-Diphenylpropylamine | NSC 137832 | C31E561S64 | UNII-C31E561S64 | α-(2-Aminoethyl)diphenylmethan

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488185761

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185761

Sorrisos canónicos

C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2

IUPAC Name

3,3-diphenylpropan-1-amine

InChIKey

KISZTEOELCMZPY-UHFFFAOYSA-N

INCHI

1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2

SMILES isoméricas

C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2

WGK Alemanha

3

Peso molecular

211.31

Reaxy-Rn

1958595

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1958595&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Chloroform (Sparingly), Methanol (Slightly)
• Sensibilidade: air sensitive
• Índice de refração: 1.583
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 166 °C/2 mmHg
• Ponto de fusão (°C): 24 °C
• Peso molecular: 211.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 211.136 Da
• Monoisotopic Mass: 211.136 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 160.000
• 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?

This product is supplied at ≥98% 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 5586-73-2, the molecular formula is C15H17N, and the molecular weight is 211.31 g/mol. InChIKey KISZTEOELCMZPY-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.