Quinaldine - ≥98% , CAS No.91-63-4

CAS: 91-63-4 Cat. No.: Q107985 Molecular Weight: 143.19 Beilstein Registry Number: 110309 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1=NC2=CC=CC=C2C=C1
• WGK Germany: 3
• RTECS: UZ9625000
• PubChem CID: 7060
• Molecular Weight: 143.19
• Beilstein: 110309
• Reaxy-Rn: 110309

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

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HepG2 (196354 Activities)

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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

Associated Targets(non-human)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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Plasmodium falciparum (966862 Activities)

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Leishmania donovani (89745 Activities)

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J774.A1 (2436 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in chloroform, diethyl ether, water (2.5 mg/ml at 20 °C), ether, and alcohol.
• Sensitivity: Light，Air & Moisture Sensitive
• Refractive Index: 1.61
• Flash Point(°F): 174.2 °F
• Flash Point(°C): 79 °C
• Boil Point(°C): 247°C
• Melt Point(°C): -2°C
• Molecular Weight: 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

References

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]