1,2,3,4-Tetrahydroquinoline - ≥97% , CAS No.635-46-1

CAS: 635-46-1 Cat. No.: T107484 Molecular Weight: 133.19 Beilstein Registry Number: 116149 EC Number: 211-237-6 PubChem CID: 69460

GRADE & PURITY ≥97%

Synonyms

1,2,3,4-tetrahydro quinoline | 1,2,3,4-Tetrahydroquinoline, purum, >=96.0% (GC) | 3,4-dihydro-2H-quinoline | Q21099119 | A8748 | FT-0606201 | AKOS000119058 | T0113 | 1,3,4-Tetrahydroquinoline | NCGC00188132-01 | UNII-CCR50N1Z9G | F2190-0415 | 1,2,3,4-Hydr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 2, 3, 4-tetrahydro quinoline | 1, 2, 3, 4-Tetrahydroquinoline, purum, >=96.0% (GC) | 3, 4-dihydro-2H-quinoline | Q21099119 | A8748 | FT-0606201 | AKOS000119058 | T0113 | 1, 3, 4-Tetrahydroquinoline | NCGC00188132-01 | UNII-CCR50N1Z9G | F2190-0415 | 1, 2, 3, 4-Hydr

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754394
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754394
• Canonical Smiles: C1CC2=CC=CC=C2NC1
• IUPAC Name: 1,2,3,4-tetrahydroquinoline
• InChIKey: LBUJPTNKIBCYBY-UHFFFAOYSA-N
• INCHI: 1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2
• Isomeric SMILES: C1CC2=CC=CC=C2NC1
• WGK Germany: 3
• PubChem CID: 69460
• Molecular Weight: 133.19
• Beilstein: 116149
• Reaxy-Rn: 116149

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• External Descriptors: quinolines

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)

SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with alcohol, ether, carbon disulfide and many organic solvents. Slightly miscible with water.
• Sensitivity: Heat & Light & Air sensitive
• Freezing Point(°C): 13 °C
• Refractive Index: 1.593-1.595
• Flash Point(°F): 213.8 °F
• Flash Point(°C): 100°C
• Boil Point(°C): 113-117°C
• Melt Point(°C): 9-14°C
• Molecular Weight: 133.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.089 Da
• Monoisotopic Mass: 133.089 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• 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. Wenbin Huang, Qiang Wei, Haoran Liu, Han Yang, Zhen Xu, Zhengyu Chen, Dongdong Chen, Yasong Zhou.  (2023)  N-N self-inhibition effect of aromatic N-heterocyclic compounds on NiWS supported γ-Al2O3 hydrotreating catalyst.  FUEL,      [PMID:] [10.1016/j.fuel.2023.130067]

2. Meili Ding, Pan Ma, Yang Wang, Ying Zhang, Jun Liu, Jianfeng Yao.  (2023)  Hierarchically porous bimetallic oxide derived from a metal-organic framework for the promotion of catalytic CO2 chemical fixation.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.111118]

3. Qiu-Yue Cheng, Ting Wang, Jun Hu, Hong-Yuan Chen, Jing-Juan Xu.  (2023)  In Situ Probing the Short-Lived Intermediates in Visible-Light Heterogeneous Photocatalysis by Mass Spectrometry.  ANALYTICAL CHEMISTRY,      [PMID:37665645] [10.1021/acs.analchem.3c03494]

4. Hongmei Yang, Menglu Xu, Lili Zhang, Weiwei Fang, E. Liu, Huaxin Zhang.  (2023)  Hyper-crosslinked polymer derived porous Co@CN catalyst for selective hydrogenation of quinoline.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2023.112701]

5. Zhou Zhang, Wengang Liu, Yuanyuan Zhang, Jingwen Bai, Jian Liu.  (2020)  Bioinspired Atomic Manganese Site Accelerates Oxo-Dehydrogenation of N-Heterocycles over a Conjugated Tri-s-Triazine Framework.  ACS Catalysis,      [PMID:] [10.1021/acscatal.0c04651]

6. Pengbo Wang, Qian He, Hao Zhang, Qingdi Sun, Yujie Cheng, Tao Gan, Xiaohui He, Hongbing Ji.  (2020)  N-formylation of amines using phenylsilane and CO2 over ZnO catalyst under mild condition.  CATALYSIS COMMUNICATIONS,      [PMID:] [10.1016/j.catcom.2020.106195]

7. Lingzhi Wang, Yalei Gao, Yuying Chen, Zhenzhou Tang, Xiao Lin, Meng Bai, Pei Cao, Kai Liu.  (2025)  Discovery of Novel Pyridin-2-yl Urea Inhibitors Targeting ASK1 Kinase and Its Binding Mode by Absolute Protein–Ligand Binding Free Energy Calculations.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  26  (4): (1527).  [PMID:40003993] [10.3390/ijms26041527]

8. Zhefei Zhao, Wenjie Yan, Wenbin Zheng, Lipeng Guo, Ruopeng Yu, Minhao Chen, Huajun Zheng.  (2025)  Heteroatom Introduction and Electrochemical Reconstruction on Heterostructured Co-Based Electrocatalysts for Hydrogenation of Quinolines.  Small,      [PMID:40079113] [10.1002/smll.202412626]

9. Zhenye Zhang, Shenghan Zhang, Shijie Wang, Xinliang Guo, Zhilin Wang, Yu Tan, KeXin Liang.  (2025)  Highly efficient electrochemical hydrogenation and dehydrogenation of quinoline catalyzed by a bifunctional RuNi electrode.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2025.03.054]

10. Zhenye Zhang, Shenghan Zhang, Shijie Wang, Yu Tan, Kexin Liang, Xinliang Guo, Xin Zheng.  (2025)  Quinoline reversible electrochemical hydrogen storage on phosphide transition metal catalysts.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2025.114964]