Cas no 154517-69-8 (1,4-Diazabicyclo[4.3.1]decane(9CI))
![1,4-Diazabicyclo[4.3.1]decane(9CI) structure](https://ossimg.kuujia.com/scimg/155000/154517-69-8x500.png)
154517-69-8 structure
Product Name:1,4-Diazabicyclo[4.3.1]decane(9CI)
CAS No:154517-69-8
MF:C8H16N2
MW:140.226041793823
CID:135731
PubChem ID:44630653
Update Time:2025-04-19
1,4-Diazabicyclo[4.3.1]decane(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Diazabicyclo[4.3.1]decane(9CI)
- 1,4-Diazabicyclo[4.3.1]decane
- 1,4-diaza-bicyclo[4.3.1]decane
- 154517-69-8
- DTXSID00659976
- A26396
- AKOS015854435
-
- Inchi： 1S/C8H16N2/c1-2-8-6-9-3-5-10(4-1)7-8/h8-9H,1-7H2
- InChI Key： KZGLLPZSSBCXGM-UHFFFAOYSA-N
- SMILES： N12CCNCC(CCC1)C2
Computed Properties
- Exact Mass: 140.13100
- Monoisotopic Mass: 140.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.3A^2
- XLogP3: 0.4
Experimental Properties
- Density: 1.01
- Boiling Point: 201 oC
- Flash Point: 80 oC
- Refractive Index: 1.526
- PSA: 15.27000
- LogP: 0.56830
1,4-Diazabicyclo[4.3.1]decane(9CI) Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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