Cas no 15571-19-4 (1-Aziridinecarboxamide,N,N'-1,4-cyclohexanediylbis-)
15571-19-4 structure
Product Name:1-Aziridinecarboxamide,N,N'-1,4-cyclohexanediylbis-
CAS No:15571-19-4
MF:C12H20N4O2
MW:252.312802314758
CID:150455
PubChem ID:269959
Update Time:2025-04-19
1-Aziridinecarboxamide,N,N'-1,4-cyclohexanediylbis- Chemical and Physical Properties
Names and Identifiers
-
- 1-Aziridinecarboxamide,N,N'-1,4-cyclohexanediylbis-
- NSC-111714
- DTXSID90935276
- 15571-19-4
- 1-Aziridinecarboxamide,N'-1,4-cyclohexylenebis-
- 1-Aziridinecarboxamide,N'-1,4-cyclohexanediylbis-
- N,N'-(Cyclohexane-1,4-diyl)di(aziridine-1-carboximidic acid)
- NSC111714
-
- Inchi： 1S/C12H20N4O2/c17-11(15-5-6-15)13-9-1-2-10(4-3-9)14-12(18)16-7-8-16/h9-10H,1-8H2,(H,13,17)(H,14,18)
- InChI Key： QLGFTDIZSYWCPQ-UHFFFAOYSA-N
- SMILES： O=C(N1CC1)NC1CCC(CC1)NC(N1CC1)=O
Computed Properties
- Exact Mass: 252.1588
- Monoisotopic Mass: 252.159
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 310
- 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: -0.2
- Topological Polar Surface Area: 64.2?2
Experimental Properties
- Density: 1.29
- Boiling Point: 588.2°C at 760 mmHg
- Flash Point: 309.6°C
- Refractive Index: 1.602
- PSA: 64.22
- LogP: 1.00560
1-Aziridinecarboxamide,N,N'-1,4-cyclohexanediylbis- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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