4,4'-Dimethyl-trans-stilbene - ≥99%(GC) , CAS No.18869-29-9

CAS: 18869-29-9 Cat. No.: D131820 Summenformel: C₁₆H₁₆ Molekulargewicht: 208.3

GRADE & PURITY ≥99%(GC)

Synonyms

5-(Carboxymethyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid | AKOS002312383 | 1,2-Di-p-tolylethene | D2708 | (E)-1,2-Bis(4-methylphenyl)ethene | 4,4'-Dimethyl trans-stilbene | MFCD00136904 | 1-methyl-4-[(E)-2-(p-tolyl)-vinyl]-benzene | 4,4'-Dimethyl-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

5-(Carboxymethyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid | AKOS002312383 | 1,2-Di-p-tolylethene | D2708 | (E)-1,2-Bis(4-methylphenyl)ethene | 4,4'-Dimethyl trans-stilbene | MFCD00136904 | 1-methyl-4-[(E)-2-(p-tolyl)-vinyl]-benzene | 4,4'-Dimethyl-

Spezifikationen & Reinheit

≥99%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%(GC)

Namen und Kennungen

Pubchem Sid

488195562

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195562

Kanonisches Lächeln

CC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C

IUPAC Name

1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene

InChIKey

KINZBJFIDFZQCB-VAWYXSNFSA-N

INCHI

1S/C16H16/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-12H,1-2H3/b12-11+

Isomere SMILES

CC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C

Molekulargewicht

208.3

Reaxy-Rn

1907551

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907551&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Toluenes Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - Toluene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 183 °C
• Molekulargewicht: 208.300 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 208.125 Da
• Monoisotopic Mass: 208.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 188.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1