Quinaldine - ≥98% , CAS No.91-63-4

CAS: 91-63-4 Cat. No.: Q107985 Peso molecular: 143.19 Beilstein Registry Number: 110309 Número EC: 202-085-1 PubChem CID: 7060

GRADE & PURITY ≥98%

Synonyms

BCP21021 | 2-METHYLQUINOLINE | 2-METHYL-QUINOLINE (QUINALDINE) | 2-Methylquinoline;Khinaldin;Chinaldine | Q0005 | Quinaldine, >=95% | EINECS 202-085-1 | J-510102 | SCHEMBL56360 | 2-Methylchinolin | NSC3397 | NSC-3397 | 2-Methylquinoline 100 microg/mL in A

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

A useful ingredient in anti-malaria drugs, in manufacturing dyes, food colorants , pharmaceuticals and pH indicators.

Specifications

Sinónimos

BCP21021 | 2-METHYLQUINOLINE | 2-METHYL-QUINOLINE (QUINALDINE) | 2-Methylquinoline;Khinaldin;Chinaldine | Q0005 | Quinaldine, >=95% | EINECS 202-085-1 | J-510102 | SCHEMBL56360 | 2-Methylchinolin | NSC3397 | NSC-3397 | 2-Methylquinoline 100 microg/mL in A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC2=CC=CC=C2C=C1
• IUPAC Name: 2-methylquinoline
• InChIKey: SMUQFGGVLNAIOZ-UHFFFAOYSA-N
• INCHI: 1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
• Isómeros SMILES: CC1=NC2=CC=CC=C2C=C1
• WGK Alemania: 3
• RTECS: UZ9625000
• PubChem CID: 7060
• Peso molecular: 143.19
• Beilstein: 110309
• Reaxy-Rn: 110309

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Methylpyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: a quinone

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

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

HepG2 (196354 Activities)

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

PSMB5 Tclin Proteasome Macropain subunit MB1 (2451 Activities)

Discover Target: PSMB5

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

Objetivos asociados (no humanos)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Plasmodium falciparum (966862 Activities)

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

Leishmania donovani (89745 Activities)

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

J774.A1 (2436 Activities)

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform, diethyl ether, water (2.5 mg/ml at 20 °C), ether, and alcohol.
• Sensibilidad: Light，Air & Moisture Sensitive
• Índice de refracción: 1.61
• Punto de inflamación (°F): 174.2 °F
• Punto de inflamación (°C): 79 °C
• Punto de ebullición (°C): 247°C
• Punto de fusión (°C): -2°C
• Peso molecular: 143.180 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.073 Da
• Monoisotopic Mass: 143.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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

Referencias

1. Zhengyu Wang, Yufeng Hu, Zhiduo Ding, Hao Zhou, Jianye Zhang, Jingjing Zhan, Minghuo Wu.  (2023)  Determination of Organic Nitrogen Compounds in Gasoline by Water-Assisted Dispersive Solid-Phase Extraction (DSPE) and High-Performance Liquid Chromatography-High-Resolution Mass Spectrometry (HPLC-HRMS).  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2022.2101059]

2. Zixuan Zhao, Qinghua Hu, Wenjuan Liu, Xuerui Xiong, Zhiyong Wang, Hongqing Wang.  (2023)  A smartphone-available colorimetric and near-infrared fluorescence sensor for trace amounts of water detection in highly polar organic solvents.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2023.111186]

3. Chao Huang, Jinhui Li, Deliang Sun, Rui Xuan, Yuying Sui, Tingyu Li, Liang Shang, Guoping Zhang, Rong Sun, Ching Ping Wong.  (2020)  Comprehensive properties study of low-temperature imidized polyimide with curing accelerators.  Journal of Materials Chemistry C,  8  (42): (14886-14894).  [PMID:] [10.1039/D0TC03770B]

4. Linfeng Chen, Lu Li, Dong Wu, Xike Tian, Dasha Xia, Liqiang Lu, Chao Yang, Yulun Nie.  (2019)  Construction of multi-channel fluorescence sensor array and its application for accurate identification and sensitive quantification of multiple metal ions.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.127277]

5. Fang Zhou, Yasmina Sultanbawa, Huan Feng, Yong-Lei Wang, Qingtao Meng, Yue Wang, Zhiqiang Zhang, Run Zhang.  (2019)  A New Red-Emitting Fluorescence Probe for Rapid and Effective Visualization of Bisulfite in Food Samples and Live Animals.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:30865447] [10.1021/acs.jafc.8b07110]

6. Mingshuo Tang, Zhiwei He, Zhihao Wang, Yunlong Wang.  (2024)  A flexible and energy independent fluorescence radiation fiber film dosimeter fabricated by electrostatic spinning.  Nanoscale,      [PMID:39584842] [10.1039/D4NR03392B]

7. Kun Yao, Hua Liu, Binbin Fang, Congyang Xia, Lingmin Gu, Lin Fang, Haohao Zhu, Jie Pan, Guofu Zhang.  (2024)  Design and application of a novel “turn-on” fluorescent probe for imaging sulfite in living cells and inflammation models.  BIOORGANIC CHEMISTRY,      [PMID:38537335] [10.1016/j.bioorg.2024.107305]

8. Jiayi Bian, Yingjie Xu, Minghao Sun, Zerui Ma, Hao Li, Changrui Sun, Fei Xiong, Xiaopeng Zhao, Wenjing Yao, Yue Chen, Yuanyuan Ma, Xikuang Yao, Shenghong Ju, Wenpei Fan.  (2024)  Engineering AIEgens-Tethered Gold Nanoparticles with Enzymatic Dual Self-Assembly for Amplified Cancer-Specific Phototheranostics.  ACS Nano,      [PMID:39300974] [10.1021/acsnano.4c07403]

9. Chen Pu, Shan Guogang, Nie Qingli, Yan Yuting, Zhang Pengfei, Zhao Zujin, Feng Hai-Tao, Tang Ben Zhong.  (2024)  Two-color emissive AIEgens with anti-Kasha property for dual-organelle imaging and phototherapy.  Science China-Chemistry,      [PMID:] [10.1007/s11426-023-1903-1]