GRADE & PURITY ≥99%

Synonyms

6DPT9AB2NK | AC-531 | Indoline, 19 | BRN 0111915 | Dihydroindole | Indoline | indoline- | Azaindane | aza-indane | Indoline, ReagentPlus(R), 99% | 2,3-DIHYDROINDOLE | CHEBI:43295 | 1H-Indole, 2,3-dihydro- | SCHEMBL5629 | 1-Azaindan | P19974 | FT-0627227 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

6DPT9AB2NK | AC-531 | Indoline, 19 | BRN 0111915 | Dihydroindole | Indoline | indoline- | Azaindane | aza-indane | Indoline, ReagentPlus(R), 99% | 2, 3-DIHYDROINDOLE | CHEBI:43295 | 1H-Indole, 2, 3-dihydro- | SCHEMBL5629 | 1-Azaindan | P19974 | FT-0627227 |

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488181115
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181115
• Canonical Smiles: C1CNC2=CC=CC=C21
• IUPAC Name: 2,3-dihydro-1H-indole
• InChIKey: LPAGFVYQRIESJQ-UHFFFAOYSA-N
• INCHI: 1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
• Isomeric SMILES: C1CNC2=CC=CC=C21
• WGK Germany: 3
• RTECS: NL6906300
• Molecular Weight: 119.16
• Beilstein: 111915
• Reaxy-Rn: 111915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111915&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - 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 indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• External Descriptors: indoles

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)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Fully misicible in water at 5 g/L (20°C).
• Sensitivity: Light & Air Sensitive
• Refractive Index: 1.592
• Flash Point(°F): 199.4 °F
• Flash Point(°C): 92°C
• Boil Point(°C): 220-221°C
• Melt Point(°C): -21°C
• Molecular Weight: 119.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 119.073 Da
• Monoisotopic Mass: 119.073 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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. Yuhang Liu, Yuanjiang Zhao, Liming Jiang.  (2023)  Spiropyran-Decorated Nanoporous Metal–Organic Frameworks for Reversible Light-Controlled Adsorption of Multiple Salts from Water: Implications for Water Purification.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.3c03172]

2. 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]

3. Yanan Hou, Xue Liu, Shilin Li, Xue Zhang, Sili Yu, Guang-Rong Zhao.  (2020)  Metabolic Engineering of Escherichia coli for de Novo Production of Betaxanthins.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:32627549] [10.1021/acs.jafc.0c02949]

4. Bo Tang, Li Ji, Yuanzhe Dai, Haiqun Chen, Zhenyu Zhang, Zhengwei Wang, Sen Li.  (2020)  Cu-BTC-Assisted DSSCs with Improved Photovoltaic Performances.  NANO,      [PMID:] [10.1142/S1793292020500551]

5. Yanfeng He, Zhenyu Zhang, Weiyang Wang, Lipei Fu.  (2020)  Metal organic frameworks derived high-performance photoanodes for DSSCs.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2020.154089]

6. Bo Tang, Haogang Yu, Haoping Peng, Zhengwei Wang, Sen Li, Tingting Ma, Weiqiu Huang.  (2018)  Graphene based photoanode for DSSCs with high performances.  RSC Advances,  8  (51): (29220-29227).  [PMID:35547976] [10.1039/C8RA05211E]

7. Bo Tang, Guojian Ji, Zhengwei Wang, Haiqun Chen, Xufei Li, Haogang Yu, Sen Li, Hong Liu.  (2017)  Three-dimensional graphene networks and reduced graphene oxide nanosheets co-modified dye-sensitized solar cells.  RSC Advances,  7  (72): (45280-45286).  [PMID:] [10.1039/C7RA09135D]

8. Zhanao Lv, Haibin Wang, Zhuqi Chen, Shuhua Zou, Shuaishuai Zhu, Chenlin Lou, Guochuan Yin.  (2017)  Non-redox metal ions promoted dehydrogenation of saturated C–C bond by a ruthenium catalyst with dioxygen activation.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2016.12.027]

9. Bo Tang, Guoxin Hu.  (2012)  Two kinds of graphene-based composites for photoanode applying in dye-sensitized solar cell.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2012.07.093]

10. Fanxi Sun, Ang Gao, Boyun Yan, Jing Zhang, Xiangru Wang, Hanjun Zhang, Dacheng Dai, Yonghao Zheng, Xu Deng, Chen Wei, Dongsheng Wang.  (2024)  Self-adaptive photochromism.  Science Advances,  10  (45):   [PMID:39504369] [10.1126/sciadv.ads2217]

11. Yinghao Ji, Fanxi Sun, Gaolu Zhu, Bo Han, Yuxuan Zhao, Daisheng Yang, Xu Deng, Longquan Chen, Yonghao Zheng, Chen Wei, Dongsheng Wang.  (2025)  Post-Synthesis of Donor–Acceptor Stenhouse Adducts into Photochromic Microparticles.  ACS Applied Materials & Interfaces,      [PMID:40353595] [10.1021/acsami.5c04468]