GRADE & PURITY ≥96%(GC)

Synonyms

CHEBI:48609 | 1,4-DMN | AKOS015842553 | DTXSID8035423 | Tox21_300881 | STL453638 | D89759 | MFCD00004037 | DIMETHYLNAPHTHALENE, 1,4- | NCGC00254785-01 | AS-57958 | Naphthalene, 1,4-dimethyl- | NSC61779 | NSC-61779 | Q27121287 | EINECS 209-335-9 | 1,4-DIME

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CHEBI:48609 | 1, 4-DMN | AKOS015842553 | DTXSID8035423 | Tox21_300881 | STL453638 | D89759 | MFCD00004037 | DIMETHYLNAPHTHALENE, 1, 4- | NCGC00254785-01 | AS-57958 | Naphthalene, 1, 4-dimethyl- | NSC61779 | NSC-61779 | Q27121287 | EINECS 209-335-9 | 1, 4-DIME

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 488181302
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181302
• Sonrisas canónicas: CC1=CC=C(C2=CC=CC=C12)C
• IUPAC Name: 1,4-dimethylnaphthalene
• InChIKey: APQSQLNWAIULLK-UHFFFAOYSA-N
• INCHI: 1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
• Isómeros SMILES: CC1=CC=C(C2=CC=CC=C12)C
• WGK Alemania: 3
• RTECS: QJ4440000
• Peso molecular: 156.23
• Beilstein: 2039840
• Reaxy-Rn: 2039842
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039842&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: dimethylnaphthalene

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)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.61
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 128°C(lit.)
• Punto de ebullición (°C): 268°C(lit.)
• Peso molecular: 156.220 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.094 Da
• Monoisotopic Mass: 156.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 132.000
• 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