Cas no 138956-40-8 (3-Azabicyclo[3.2.1]octan-2-one, 3-hexyl-)
![3-Azabicyclo[3.2.1]octan-2-one, 3-hexyl- structure](https://ossimg.kuujia.com/scimg/139000/138956-40-8x500.png)
138956-40-8 structure
Product Name:3-Azabicyclo[3.2.1]octan-2-one, 3-hexyl-
CAS No:138956-40-8
MF:C13H23NO
MW:209.327823877335
CID:1257852
PubChem ID:15154375
Update Time:2025-04-20
3-Azabicyclo[3.2.1]octan-2-one, 3-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Azabicyclo[3.2.1]octan-2-one, 3-hexyl-
- 3-hexyl-3-azabicyclo[3.2.1]octan-4-one
- DTXSID00569228
- 138956-40-8
- 3-HEXYL-3-AZABICYCLO[3.2.1]OCTAN-2-ONE
-
- Inchi： 1S/C13H23NO/c1-2-3-4-5-8-14-10-11-6-7-12(9-11)13(14)15/h11-12H,2-10H2,1H3
- InChI Key： DGKUOSJUYYKMJS-UHFFFAOYSA-N
- SMILES： O=C1C2CCC(CN1CCCCCC)C2
Computed Properties
- Exact Mass: 209.17809
- Monoisotopic Mass: 209.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 227
- 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: 2.9
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
3-Azabicyclo[3.2.1]octan-2-one, 3-hexyl- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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