Cas no 119554-69-7 (Ethanone,1-(3,4,5,8-tetrahydro-1(2H)-azocinyl)-)
119554-69-7 structure
Product Name:Ethanone,1-(3,4,5,8-tetrahydro-1(2H)-azocinyl)-
CAS No:119554-69-7
MF:C9H15NO
MW:153.221502542496
CID:133094
PubChem ID:57347014
Update Time:2025-04-19
Ethanone,1-(3,4,5,8-tetrahydro-1(2H)-azocinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(3,4,5,8-tetrahydro-1(2H)-azocinyl)-
- 1-(3,4,5,8-tetrahydro-2H-azocin-1-yl)ethanone
- Azocine, 1-acetyl-1,2,3,4,5,8-hexahydro- (9CI)
- 1-(3,4,5,8-Tetrahydroazocin-1(2H)-yl)ethan-1-one
- 119554-69-7
- DTXSID00721324
-
- Inchi： 1S/C9H15NO/c1-9(11)10-7-5-3-2-4-6-8-10/h3,5H,2,4,6-8H2,1H3
- InChI Key： BPDIUFOAWDHLCM-UHFFFAOYSA-N
- SMILES： O=C(C)N1CC=CCCCC1
Computed Properties
- Exact Mass: 153.11545
- Monoisotopic Mass: 153.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
Ethanone,1-(3,4,5,8-tetrahydro-1(2H)-azocinyl)- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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