1,2-Diphenylethylamine - ≥97% , CAS No.25611-78-3

CAS: 25611-78-3 Cat. No.: D154742 Peso molecular: 197.28 Beilstein Registry Number: 12(4)3313 Número EC: 247-126-4

GRADE & PURITY ≥97%

Synonyms

.alpha.-Benzylbenzylamine | 1,2-Diphenylethanamine # | HMS1780N20 | 1-Amino-1,2-diphenylethane | 1,2-Diphenylethanamine | alpha-Phenylbenzeneethanamine | AKOS016050243 | SY051728 | (-)-1,2-diphenylethylamine | D1144 | FT-0638539 | EN300-12654 | STL326871

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

.alpha.-Benzylbenzylamine | 1, 2-Diphenylethanamine # | HMS1780N20 | 1-Amino-1, 2-diphenylethane | 1, 2-Diphenylethanamine | alpha-Phenylbenzeneethanamine | AKOS016050243 | SY051728 | (-)-1, 2-diphenylethylamine | D1144 | FT-0638539 | EN300-12654 | STL326871

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488183019
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183019
• Sonrisas canónicas: C1=CC=C(C=C1)CC(C2=CC=CC=C2)N
• IUPAC Name: 1,2-diphenylethanamine
• InChIKey: DTGGNTMERRTPLR-UHFFFAOYSA-N
• INCHI: 1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
• Isómeros SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)N
• WGK Alemania: 3
• RTECS: SI2299000
• Peso molecular: 197.28
• Beilstein: 12(4)3313
• Reaxy-Rn: 2047247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047247&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Amphetamines and derivatives Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Amphetamine or derivatives - Aralkylamine - Benzenoid - Monocyclic benzene moiety - 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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.5790-1.5820
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 ℃
• Punto de ebullición (°C): 310-311℃
• Peso molecular: 197.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 197.12 Da
• Monoisotopic Mass: 197.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1