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

CAS: 5586-73-2 Cat. No.: D135644 Formula: C₁₅H₁₇N Peso molecolare: 211.31 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488185761
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185761
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Sparingly), Methanol (Slightly)
• Sensibilità: air sensitive
• Indice di rifrazione: 1.583
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 166 °C/2 mmHg
• Punto di fusione (°C): 24 °C
• Peso molecolare: 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

Domande frequenti

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.