Indan - ≥95% , CAS No.496-11-7

CAS: 496-11-7 Cat. No.: I105445 分子式: C₉H₁₀ 分子量: 118.18 Beilstein Registry Number: 1904376 EC番号: 207-814-7

グレード＆純度 ≥95%

Synonyms

UNII-H9SCX043IG | AI3-02275 | FT-0627193 | Indan, 95% | NCGC00357139-01 | Q420109 | A827773 | Benzocyclopentane | 2,3-Dihydro-1H-indene | DTXCID9030701 | STR04252 | AKOS000121540 | Indene, 2,3-dihydro- | Indan, analytical standard | Dihydroindene | NSC 52

Storage

Room temperature

Shipped In

Normal

仕様

同義語

UNII-H9SCX043IG | AI3-02275 | FT-0627193 | Indan, 95% | NCGC00357139-01 | Q420109 | A827773 | Benzocyclopentane | 2,3-Dihydro-1H-indene | DTXCID9030701 | STR04252 | AKOS000121540 | Indene, 2,3-dihydro- | Indan, analytical standard | Dihydroindene | NSC 52

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

488181114

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181114

カノニカル・スマイル

C1CC2=CC=CC=C2C1

IUPAC Name

2,3-dihydro-1H-indene

InChIKey

PQNFLJBBNBOBRQ-UHFFFAOYSA-N

INCHI

1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2

異性体SMILES

C1CC2=CC=CC=C2C1

WGKドイツ

3

RTECS

NK3750000

UN番号

3295

分子量

118.18

Beilstein

1904376

Reaxy-Rn

1904376

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• External Descriptors: indanes - ortho-fused bicyclic hydrocarbon

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

関連ターゲット（人間）

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, diethyl ether, chloroform (slightly), and ether. Insoluble in water.
• 屈折率: 1.535-1.538
• 引火点（°F）: 129.2 °F
• 引火点（°C）: 50℃
• 沸点（°C）: 176.5°C
• 融点（°C）: -51.4℃
• 分子量: 118.180 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 118.078 Da
• Monoisotopic Mass: 118.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.200
• 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