Cas no 45842-68-0 (1-Azabicyclo(2.2.2)octane, 4-(1-methylethyl)-)
45842-68-0 structure
Product Name:1-Azabicyclo(2.2.2)octane, 4-(1-methylethyl)-
CAS No:45842-68-0
MF:C10H19N
MW:153.26456284523
CID:2692678
Update Time:2023-08-07
1-Azabicyclo(2.2.2)octane, 4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-propan-2-yl-1-azabicyclo[2.2.2]octane
- 1-Azabicyclo(2.2.2)octane, 4-(1-methylethyl)-
- Q Pr-i
- 1-Azabicyclo[2.2.2]octane,4-(1-methylethyl)-
-
- Inchi： 1S/C10H19N/c1-9(2)10-3-6-11(7-4-10)8-5-10/h9H,3-8H2,1-2H3
- InChI Key： LWTAOQAZHABQRV-UHFFFAOYSA-N
- SMILES： N12CCC(C(C)C)(CC1)CC2
Computed Properties
- Exact Mass: 153.152
- Monoisotopic Mass: 153.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 129
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 3.2
Experimental Properties
- Density: 0.93
- Boiling Point: 185.1°C at 760 mmHg
- Flash Point: 58.3°C
- Refractive Index: 1.498
1-Azabicyclo(2.2.2)octane, 4-(1-methylethyl)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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