Cas no 54156-50-2 (9-Azabicyclo[3.3.1]nonan-3-one, 1,5,7-trimethyl-)
![9-Azabicyclo[3.3.1]nonan-3-one, 1,5,7-trimethyl- structure](https://ossimg.kuujia.com/scimg/54500/54156-50-2x500.png)
54156-50-2 structure
Product Name:9-Azabicyclo[3.3.1]nonan-3-one, 1,5,7-trimethyl-
CAS No:54156-50-2
MF:C11H19NO
MW:181.274663209915
CID:355264
PubChem ID:71364829
Update Time:2025-04-19
9-Azabicyclo[3.3.1]nonan-3-one, 1,5,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 9-Azabicyclo[3.3.1]nonan-3-one, 1,5,7-trimethyl-
- 1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
- 54156-50-2
- DTXSID60788276
-
- Inchi： 1S/C11H19NO/c1-8-4-10(2)6-9(13)7-11(3,5-8)12-10/h8,12H,4-7H2,1-3H3
- InChI Key： LLJIVCREEWBHLQ-UHFFFAOYSA-N
- SMILES： O=C1CC2(C)CC(C)CC(C)(C1)N2
Computed Properties
- Exact Mass: 181.14677
- Monoisotopic Mass: 181.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
9-Azabicyclo[3.3.1]nonan-3-one, 1,5,7-trimethyl- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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