Cas no 67177-57-5 (1H-Indole-3-ethanamine, 2,3-dihydro-, hydrochloride)
67177-57-5 structure
Product Name:1H-Indole-3-ethanamine, 2,3-dihydro-, hydrochloride
CAS No:67177-57-5
MF:C10H15ClN2
MW:198.692501306534
CID:4128295
PubChem ID:85949904
Update Time:2025-04-24
1H-Indole-3-ethanamine, 2,3-dihydro-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-ethanamine, 2,3-dihydro-, hydrochloride
- 2-(Indolin-3-yl)ethan-1-aminexhydrochloride
- 2-(Indolin-3-yl)ethan-1-amine xhydrochloride
- 67177-57-5
-
- Inchi： 1S/C10H14N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,8,12H,5-7,11H2;1H
- InChI Key： SFTJGCCKYGQCNE-UHFFFAOYSA-N
- SMILES： Cl.N1C2C=CC=CC=2C(CCN)C1
Computed Properties
- Exact Mass: 198.0923762Da
- Monoisotopic Mass: 198.0923762Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 147
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.1?2
1H-Indole-3-ethanamine, 2,3-dihydro-, hydrochloride Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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