2-Methoxynaphthalene - ≥98% , CAS No.93-04-9

CAS: 93-04-9 Cat. No.: M115324 Formule: C₁₀H₇OCH₃ Poids moléculaire: 158.2 Beilstein Registry Number: 1859408 Numéro CE: 202-213-6

QUALITÉ & PURETÉ ≥98%

Synonyms

AKOS008947868 | BDBM50159258 | 2-Methoxynaphthalene, 99% | AC-4741 | NAPROXEN IMPURITY M [EP IMPURITY] | Nerolin Yara Yara, >=99% | beta-Naphthol methyl ether | CHEBI:177835 | Methyl .beta.-naphthyl ether | SCHEMBL112792 | Jara jara | MFCD00004061 | .beta

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

AKOS008947868 | BDBM50159258 | 2-Methoxynaphthalene, 99% | AC-4741 | NAPROXEN IMPURITY M [EP IMPURITY] | Nerolin Yara Yara, >=99% | beta-Naphthol methyl ether | CHEBI:177835 | Methyl .beta.-naphthyl ether | SCHEMBL112792 | Jara jara | MFCD00004061 | .beta

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488180301

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180301

Sourires canoniques

COC1=CC2=CC=CC=C2C=C1

IUPAC Name

2-methoxynaphthalene

InChIKey

LUZDYPLAQQGJEA-UHFFFAOYSA-N

INCHI

1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3

Isomères SMILES

COC1=CC2=CC=CC=C2C=C1

WGK Allemagne

2

RTECS

QJ9468750

Poids moléculaire

158.2

Beilstein

1859408

Reaxy-Rn

1859408

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859408&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: 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: 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

Cibles associées (humaines)

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

Cibles associées (non humaines)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): 208.4 °F
• Point d'éclair (°C): 98 °C
• Point d'ébullition (°C): 274°C
• Point de fusion (°C): 73-75°C
• Poids moléculaire: 158.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.073 Da
• Monoisotopic Mass: 158.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 144.000
• 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