Cas no 101071-63-0 (4-(ethoxymethyl)-1H-Indole)
4-(ethoxymethyl)-1H-Indole structure
Product Name:4-(ethoxymethyl)-1H-Indole
CAS No:101071-63-0
MF:C11H13NO
MW:175.227022886276
CID:1096216
Update Time:2024-07-27
4-(ethoxymethyl)-1H-Indole Chemical and Physical Properties
Names and Identifiers
-
- 4-(ethoxymethyl)-1H-Indole
- 1H-Indole, 4-(ethoxymethyl)-
-
- Inchi： 1S/C11H13NO/c1-2-13-8-9-4-3-5-11-10(9)6-7-12-11/h3-7,12H,2,8H2,1H3
- InChI Key： SFLATSAUCILSFJ-UHFFFAOYSA-N
- SMILES： N1C2=C(C(COCC)=CC=C2)C=C1
Computed Properties
- Exact Mass: 175.099714g/mol
- Monoisotopic Mass: 175.099714g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 160
- 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
- Molecular Weight: 175.23g/mol
- XLogP3: 2.1
- Topological Polar Surface Area: 25?2
Experimental Properties
- Density: 1.112±0.06 g/cm3(Predicted)
- Boiling Point: 306.7±17.0 °C(Predicted)
- pka: 17.01±0.30(Predicted)
4-(ethoxymethyl)-1H-Indole Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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