Cas no 652130-90-0 (1,6,13-Triazacyclononadecane)
1,6,13-Triazacyclononadecane structure
Product Name:1,6,13-Triazacyclononadecane
CAS No:652130-90-0
MF:C16H35N3
MW:269.469204187393
CID:402817
PubChem ID:71376561
Update Time:2025-04-19
1,6,13-Triazacyclononadecane Chemical and Physical Properties
Names and Identifiers
-
- 1,6,13-Triazacyclononadecane
- DTXSID00799245
- 652130-90-0
-
- Inchi： 1S/C16H35N3/c1-3-7-13-18-15-9-10-16-19-14-8-4-2-6-12-17-11-5-1/h17-19H,1-16H2
- InChI Key： MSZCGVLDROCZTD-UHFFFAOYSA-N
- SMILES： N1CCCCCCNCCCCNCCCCCC1
Computed Properties
- Exact Mass: 269.28335
- Monoisotopic Mass: 269.283098129g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 155
- 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: 2.3
- Topological Polar Surface Area: 36.1?2
Experimental Properties
- PSA: 36.09
1,6,13-Triazacyclononadecane Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
652130-90-0 (1,6,13-Triazacyclononadecane) Related Products
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