Cas no 63938-64-7 (1H-Indole-3-ethanamine,N,N-bis(2-methylpropyl)-, hydrochloride (1:1))
63938-64-7 structure
Product Name:1H-Indole-3-ethanamine,N,N-bis(2-methylpropyl)-, hydrochloride (1:1)
CAS No:63938-64-7
MF:C18H29ClN2
MW:308.889263868332
CID:513415
PubChem ID:45596
Update Time:2025-04-19
1H-Indole-3-ethanamine,N,N-bis(2-methylpropyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
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- 1H-Indole-3-ethanamine,N,N-bis(2-methylpropyl)-, hydrochloride (1:1)
- 2-(1H-indol-3-yl)ethyl-bis(2-methylpropyl)azanium,chloride
- N-[2-(1H-Indol-3-yl)ethyl]-N-isobutyl-2-methylpropan-1-amine hydrochloride (1:1)
-
- Inchi： 1S/C18H28N2.ClH/c1-14(2)12-20(13-15(3)4)10-9-16-11-19-18-8-6-5-7-17(16)18;/h5-8,11,14-15,19H,9-10,12-13H2,1-4H3;1H
- InChI Key： YGRUUPMNHDXIMV-UHFFFAOYSA-N
- SMILES： [Cl-].[NH+](CCC1=CNC2C=CC=CC1=2)(CC(C)C)CC(C)C
Computed Properties
- Exact Mass: 278.9751
- Monoisotopic Mass: 308.202
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 265
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Boiling Point: 404.3°C at 760 mmHg
- Flash Point: 198.3°C
- PSA: 18.79
1H-Indole-3-ethanamine,N,N-bis(2-methylpropyl)-, hydrochloride (1:1) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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