Cas no 63938-70-5 (1H-Indole-3-ethanamine,N-propyl-, hydrochloride (1:1))
63938-70-5 structure
Product Name:1H-Indole-3-ethanamine,N-propyl-, hydrochloride (1:1)
CAS No:63938-70-5
MF:C13H19ClN2
MW:238.756362199783
CID:515165
PubChem ID:45604
Update Time:2025-04-19
1H-Indole-3-ethanamine,N-propyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
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- 1H-Indole-3-ethanamine,N-propyl-, hydrochloride (1:1)
- 2-(1H-indol-3-yl)ethyl-propylazanium,chloride
- N-[2-(1H-Indol-3-yl)ethyl]propan-1-amine hydrochloride (1:1)
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- Inchi： 1S/C13H18N2.ClH/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13;/h3-6,10,14-15H,2,7-9H2,1H3;1H
- InChI Key： VEYNBEGBMWVEBR-UHFFFAOYSA-N
- SMILES： [Cl-].[NH2+](CCC)CCC1=CNC2C=CC=CC1=2
Computed Properties
- Exact Mass: 218.9751
- Monoisotopic Mass: 238.124
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 181
- 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: 32.4A^2
Experimental Properties
- Boiling Point: 361.3°Cat760mmHg
- Flash Point: 172.3°C
- PSA: 26.99
1H-Indole-3-ethanamine,N-propyl-, hydrochloride (1:1) Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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