Cas no 685498-40-2 (3-Azabicyclo[3.3.1]nonan-9-one,1,3-dimethyl-(9CI))
![3-Azabicyclo[3.3.1]nonan-9-one,1,3-dimethyl-(9CI) structure](https://ossimg.kuujia.com/scimg/685500/685498-40-2x500.png)
685498-40-2 structure
Product Name:3-Azabicyclo[3.3.1]nonan-9-one,1,3-dimethyl-(9CI)
CAS No:685498-40-2
MF:C10H17NO
MW:167.248082876205
CID:971186
Update Time:2024-03-05
3-Azabicyclo[3.3.1]nonan-9-one,1,3-dimethyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Azabicyclo[3.3.1]nonan-9-one,1,3-dimethyl-(9CI)
- 3,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one
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- Inchi： 1S/C10H17NO/c1-10-5-3-4-8(9(10)12)6-11(2)7-10/h8H,3-7H2,1-2H3
- InChI Key： SMAMSIPDVKQTNW-UHFFFAOYSA-N
- SMILES： C12C(=O)C(C)(CCC1)CN(C)C2
Computed Properties
- Exact Mass: 167.131
- Monoisotopic Mass: 167.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 214
- 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
- Topological Polar Surface Area: 20.3A^2
Experimental Properties
- PSA: 20.31000
- LogP: 1.24520
3-Azabicyclo[3.3.1]nonan-9-one,1,3-dimethyl-(9CI) Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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