3-Aminoquinoline - ≥97%(GC) , CAS No.580-17-6

CAS: 580-17-6 Cat. No.: A151247 Molecular Weight: 144.18 Beilstein Registry Number: 113317 EC Number: 209-455-1

GRADE & PURITY ≥97%(GC)

Synonyms

AH-034/32464043 | (Quinolin-3-yl)amine | Quinoline, 3-amino- | A869543 | AMINOQUINOLINE, 3- | A23340 | MFCD00006772 | InChI=1/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H | AM20061343 | AKOS000321584 | Quinolin-3-ylamine | quinolin-3-yl-amine | Z23489508

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

3-Aminoquinoline was used: . in liquid matrix for matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) for glycopeptides, carbohydrates and phosphopeptides . in liquid matrix during novel glycan-labeling method for quantitative profiling of N-glycan by MALDI-MS analysis . as derivatizing reagent for MALDI-MS analysis of oligosachharides

Specifications

Synonyms

AH-034/32464043 | (Quinolin-3-yl)amine | Quinoline, 3-amino- | A869543 | AMINOQUINOLINE, 3- | A23340 | MFCD00006772 | InChI=1/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H, 10H | AM20061343 | AKOS000321584 | Quinolin-3-ylamine | quinolin-3-yl-amine | Z23489508

Specifications & Purity

≥97%(GC)

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488181321
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181321
• Canonical Smiles: C1=CC=C2C(=C1)C=C(C=N2)N
• IUPAC Name: quinolin-3-amine
• InChIKey: SVNCRRZKBNSMIV-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
• Isomeric SMILES: C1=CC=C2C(=C1)C=C(C=N2)N
• WGK Germany: 3
• RTECS: VA9622000
• Molecular Weight: 144.18
• Beilstein: 113317
• Reaxy-Rn: 113317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113317&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Aminopyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Aminopyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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

Associated Targets(Human)

NCF1 Tbio Neutrophil cytosol factor 1 (245 Activities)

Discover Target: NCF1

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

Associated Targets(non-human)

Histidine-rich protein (528 Activities)

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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

Ferriprotoporphyrin IX (165 Activities)

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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 methanol.
• Sensitivity: Air & Light Sensitive
• Boil Point(°C): 137 °C/1 mmHg
• Melt Point(°C): 93 °C
• Molecular Weight: 144.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.069 Da
• Monoisotopic Mass: 144.069 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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. Yulin Xu, Zhiqiang Xu, Congcong Chen, Weihao Ye, Baoyan Guo, Jiemin Qiu, Jianle Zhuang, Chaofan Hu, Bingfu Lei, Guangqi Hu, Yingliang Liu.  (2023)  Synthesis of nitrogen-doped carbon dots with 3-aminoquinoline and citric acid as an absorbent in full ultraviolet bands and application of transparent sunscreen umbrella.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2023.111204]