Cas no 4685-15-8 (N-[5-(aziridine-1-carbonylamino)pentyl]aziridine-1-carboxamide)
4685-15-8 structure
Product Name:N-[5-(aziridine-1-carbonylamino)pentyl]aziridine-1-carboxamide
CAS No:4685-15-8
MF:C11H20N4O2
MW:240.302102088928
CID:930579
PubChem ID:145759
Update Time:2025-04-19
N-[5-(aziridine-1-carbonylamino)pentyl]aziridine-1-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- N-[5-(aziridine-1-carbonylamino)pentyl]aziridine-1-carboxamide
- DTXSID10196963
- 1-Aziridinecarboxamide, N,N'-1,5-pentanediylbis-
- N,N'-1,5-Pentanediylbis-1-aziridinecarboxamide
- ANSIEACAXMZBJU-UHFFFAOYSA-N
- 4685-15-8
-
- Inchi: 1S/C11H20N4O2/c16-10(14-6-7-14)12-4-2-1-3-5-13-11(17)15-8-9-15/h1-9H2,(H,12,16)(H,13,17)
- InChI Key: ANSIEACAXMZBJU-UHFFFAOYSA-N
- SMILES: O=C(NCCCCCNC(N1CC1)=O)N1CC1
Computed Properties
- Exact Mass: 240.1588
- Monoisotopic Mass: 240.15862589g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 259
- 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: -0.5
- Topological Polar Surface Area: 64.2?2
Experimental Properties
- PSA: 64.22
N-[5-(aziridine-1-carbonylamino)pentyl]aziridine-1-carboxamide Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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