Methylnaphthalene - ≥80% , CAS No.1321-94-4

CAS: 1321-94-4 Cat. No.: M190561 Formula: C₁₁H₁₀ Peso molecolare: 142.2 Numero EC: 215-329-7

GRADE & PURITY ≥80%

Synonyms

1-methylnaphtalene | AMY38999 | CAS-90-12-0 | DTXSID9020877 | NCGC00091700-02 | NCGC00259317-01 | WLN: L66J B1 | 1-Methylnapththalene | M0371 | MFCD00004034 | Q161656 | SMR001216533 | naphthalene, 1-methyl | Naphthalene, 1-methyl- | STL283953 | 1-Methylna

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-methylnaphtalene | AMY38999 | CAS-90-12-0 | DTXSID9020877 | NCGC00091700-02 | NCGC00259317-01 | WLN: L66J B1 | 1-Methylnapththalene | M0371 | MFCD00004034 | Q161656 | SMR001216533 | naphthalene, 1-methyl | Naphthalene, 1-methyl- | STL283953 | 1-Methylna

Specifiche e purezza

≥80%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥80%

Nomi e identificatori

• Pubchem Sid: 504751221
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751221
• Sorrisi canonici: CC1=CC=CC2=CC=CC=C12
• IUPAC Name: 1-methylnaphthalene
• InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N
• INCHI: 1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
• Isomeri SMILES: CC1=CC=CC2=CC=CC=C12
• Numero UN: 3082
• Gruppo di imballaggio: III
• Peso molecolare: 142.2
• Reaxy-Rn: 506793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506793&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: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descrizione: 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: methylnaphthalene

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 82.2ºC
• Punto di ebollizione (°C): 242.8ºC at 760 mmHg
• Peso molecolare: 142.200 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.078 Da
• Monoisotopic Mass: 142.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• 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 ≥80% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 1321-94-4, the molecular formula is C11H10, and the molecular weight is 142.2 g/mol. InChIKey QPUYECUOLPXSFR-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.