Cas no 70421-98-6 (1-Azabicyclo[2.2.2]octane,2-(1H-indol-3-ylmethyl)-, hydrochloride (1:1))
![1-Azabicyclo[2.2.2]octane,2-(1H-indol-3-ylmethyl)-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/70500/70421-98-6x500.png)
70421-98-6 structure
Product Name:1-Azabicyclo[2.2.2]octane,2-(1H-indol-3-ylmethyl)-, hydrochloride (1:1)
CAS No:70421-98-6
MF:C16H21ClN2
MW:276.804342985153
CID:573830
PubChem ID:3053798
Update Time:2025-04-19
1-Azabicyclo[2.2.2]octane,2-(1H-indol-3-ylmethyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Azabicyclo[2.2.2]octane,2-(1H-indol-3-ylmethyl)-, hydrochloride (1:1)
- 3-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-1H-indole,hydrochloride
- Quinuclidine, 2-(3-indolylmethyl)-, monohydrochloride
- 2-(3-Indolylmethyl)quinuclidine hydrochloride
- 3-[(1-Azabicyclo[2.2.2]octan-2-yl)methyl]-1H-indole--hydrogen chloride (1/1)
- 70421-98-6
- DTXSID60990630
-
- Inchi： 1S/C16H20N2.ClH/c1-2-4-16-15(3-1)13(11-17-16)10-14-9-12-5-7-18(14)8-6-12;/h1-4,11-12,14,17H,5-10H2;1H
- InChI Key： HOSZEUHMGCUVRC-UHFFFAOYSA-N
- SMILES： Cl.N12CCC(CC1)CC2CC1=CNC2C=CC=CC1=2
Computed Properties
- Exact Mass: 276.13953
- Monoisotopic Mass: 276.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 296
- 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: 19?2
Experimental Properties
- Boiling Point: 409.1°C at 760 mmHg
- Flash Point: 201.2°C
- PSA: 19.03
1-Azabicyclo[2.2.2]octane,2-(1H-indol-3-ylmethyl)-, hydrochloride (1:1) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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