Cas no 98690-29-0 (2,4-Imidazolidinedione,1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bis-)
98690-29-0 structure
Product Name:2,4-Imidazolidinedione,1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bis-
CAS No:98690-29-0
MF:C16H30N8O4
MW:398.460602283478
CID:808004
PubChem ID:113501
Update Time:2025-04-19
2,4-Imidazolidinedione,1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Imidazolidinedione,1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bis-
- 1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bisimidazolidine-2,4-dione
- 1-[2-[2-[2-[2-[2-(2,4-dioxoimidazolidin-1-yl)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]imidazolidine-2,4-dione
- NS00066639
- DTXSID70243780
- 98690-29-0
- EINECS 308-862-2
-
- Inchi： 1S/C16H30N8O4/c25-13-11-23(15(27)21-13)9-7-19-5-3-17-1-2-18-4-6-20-8-10-24-12-14(26)22-16(24)28/h17-20H,1-12H2,(H,21,25,27)(H,22,26,28)
- InChI Key： WCHMXXBKHJJRID-UHFFFAOYSA-N
- SMILES： O=C1NC(CN1CCNCCNCCNCCNCCN1C(NC(C1)=O)=O)=O
Computed Properties
- Exact Mass: 398.239
- Monoisotopic Mass: 398.239
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 15
- Complexity: 511
- 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: -3.7
- Topological Polar Surface Area: 147?2
Experimental Properties
- Density: 1.25
- Refractive Index: 1.545
2,4-Imidazolidinedione,1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bis- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
98690-29-0 (2,4-Imidazolidinedione,1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bis-) Related Products
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