Cas no 179343-63-6 (1H-Indole-3-aceticacid, 4-ethyl-)
179343-63-6 structure
Product Name:1H-Indole-3-aceticacid, 4-ethyl-
CAS No:179343-63-6
MF:C12H13NO2
MW:203.237123250961
CID:113166
PubChem ID:44429230
Update Time:2025-04-18
1H-Indole-3-aceticacid, 4-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-aceticacid, 4-ethyl-
- 2-(4-ethyl-1H-indol-3-yl)acetic acid
- 1H-Indole-3-aceticacid,4-ethyl-(9CI)
- DTXSID10659043
- (4-Ethyl-1H-indol-3-yl)acetic acid
- 4-ethyl-indole-3-acetic acid
- 179343-63-6
- 2-(4-ethyl-1H-indol-3-yl)aceticacid
- 4-ethylindole-3-acetic acid
- CHEMBL397139
-
- Inchi： 1S/C12H13NO2/c1-2-8-4-3-5-10-12(8)9(7-13-10)6-11(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15)
- InChI Key： PEJUMDFIAPGUKZ-UHFFFAOYSA-N
- SMILES： OC(CC1=CNC2C=CC=C(CC)C1=2)=O
Computed Properties
- Exact Mass: 203.09469
- Monoisotopic Mass: 203.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.3
- Topological Polar Surface Area: 53.1A^2
Experimental Properties
- PSA: 53.09
1H-Indole-3-aceticacid, 4-ethyl- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indole-3-acetic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Indole-3-acetic acid derivatives
179343-63-6 (1H-Indole-3-aceticacid, 4-ethyl-) Related Products
- 24420-86-8(Indole-3-Acetic-d2 Acid)
- 54-16-0(2-(5-hydroxy-1H-indol-3-yl)acetic acid)
- 52531-12-1(5-Ethylindole-3-acetic Acid)
- 52531-22-3(2-(4-methyl-1H-indol-3-yl)acetic acid)
- 1912-33-0(Methyl 2-(1H-indol-3-yl)acetate)
- 87-51-4(3-Indoleacetic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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