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

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

GRADE & PURITY ≥98%

Synonyms

MFCD00008202 | EINECS 226-984-3 | 3,3-difenilpropan-1-amina | NSC137832 | NSC-137832 | Bencenopropanamina, .gamma.-fenil- | Propilamina, 3,3-difenil- | 3,3-Difenilpropilamina | NSC 137832 | C31E561S64 | UNII-C31E561S64 | α-(2-Aminoetil)difenilmetano

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

se utilizó 3,3-difenilpropilamina como patrón interno para la determinación simultánea de D- y L-modafinilo en plasma humano mediante un método cromatográfico líquido de alto rendimiento estereoespecífico. Se utilizó como reactivo de partida en la síntesis de 3,3-difenilpropilisocianato

Specifications

Sinónimos

MFCD00008202 | EINECS 226-984-3 | 3, 3-difenilpropan-1-amina | NSC137832 | NSC-137832 | Bencenopropanamina, .gamma.-fenil- | Propilamina, 3, 3-difenil- | 3, 3-Difenilpropilamina | NSC 137832 | C31E561S64 | UNII-C31E561S64 | α-(2-Aminoetil)difenilmetano

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185761
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185761
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2
• WGK Alemania: 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
    • 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 (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 acción

Propiedades químicas y físicas

• Solubilidad: Chloroform (Sparingly), Methanol (Slightly)
• Sensibilidad: air sensitive
• Índice de refracción: 1.583
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 166 °C/2 mmHg
• Punto de fusión (°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