Cas no 100098-21-3 (1,7-Diazabicyclo[5.3.1]undecane(9CI))
![1,7-Diazabicyclo[5.3.1]undecane(9CI) structure](https://ossimg.kuujia.com/scimg/100500/100098-21-3x500.png)
100098-21-3 structure
Product Name:1,7-Diazabicyclo[5.3.1]undecane(9CI)
CAS No:100098-21-3
MF:C9H18N2
MW:154.252622127533
CID:221606
PubChem ID:145358
Update Time:2025-04-19
1,7-Diazabicyclo[5.3.1]undecane(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Diazabicyclo[5.3.1]undecane(9CI)
- 1,7-diazabicyclo[5.3.1]undecane
- 1,7-Diazabicyclo(5.3.1)undecane
- 100098-21-3
- DTXSID20142931
- SCHEMBL13836229
-
- Inchi： 1S/C9H18N2/c1-2-5-10-7-4-8-11(9-10)6-3-1/h1-9H2
- InChI Key： XEBGLEVANPDBNO-UHFFFAOYSA-N
- SMILES： N12CCCCCN(CCC1)C2
Computed Properties
- Exact Mass: 154.14714
- Monoisotopic Mass: 154.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 113
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 1
- Boiling Point: 212.2°C at 760 mmHg
- Flash Point: 75.6°C
- Refractive Index: 1.531
- PSA: 6.48
- LogP: 1.01130
1,7-Diazabicyclo[5.3.1]undecane(9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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