Cas no 45651-41-0 (1-Azabicyclo[2.2.2]octane, 4-methyl-)
![1-Azabicyclo[2.2.2]octane, 4-methyl- structure](https://ossimg.kuujia.com/scimg/46000/45651-41-0x500.png)
45651-41-0 structure
Product Name:1-Azabicyclo[2.2.2]octane, 4-methyl-
CAS No:45651-41-0
MF:C8H15N
MW:125.211402177811
CID:2669328
PubChem ID:142664
Update Time:2025-04-21
1-Azabicyclo[2.2.2]octane, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-1-azabicyclo[2.2.2]octane
- Q ME
- SCHEMBL1434436
- 4-Methylquinuclidine #
- 1-methyl quinicludinium iodide, N-methyl quinuclidinium iodide.
- DTXCID80119068
- 4-methyl-quinuclidine
- 1-Azabicyclo[2.2.2]octane, 4-methyl-
- 4-Methylquinuclidine
- 1-Azabicyclo(2.2.2)octane, 4-methyl-
- 4-Methyl-1-azabicyclo(2.2.2)octane
- SCHEMBL25071560
- DTXSID40196577
- 45651-41-0
-
- Inchi： 1S/C8H15N/c1-8-2-5-9(6-3-8)7-4-8/h2-7H2,1H3
- InChI Key： DLHGEIMBTIHQGR-UHFFFAOYSA-N
- SMILES： N12CCC(C)(CC1)CC2
Computed Properties
- Exact Mass: 125.120449483Da
- Monoisotopic Mass: 125.120449483Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 98
- 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: 1.5
- Topological Polar Surface Area: 3.2?2
1-Azabicyclo[2.2.2]octane, 4-methyl- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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