Cas no 93918-54-8 (9-Octadecenamide,N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis- (9CI))
93918-54-8 structure
Product Name:9-Octadecenamide,N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis- (9CI)
CAS No:93918-54-8
MF:C42H82N4O2
MW:675.126092433929
CID:816713
PubChem ID:44147177
Update Time:2025-04-19
9-Octadecenamide,N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 9-Octadecenamide,N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis- (9CI)
- N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis(9-octadecenamide)
- EINECS 299-934-1
- N,N'-(1,2-Ethanediylbis(imino-2,1-ethanediyl))bis(9-octadecenamide)
- 93918-54-8
-
- Inchi: 1S/C42H82N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-39-37-43-35-36-44-38-40-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43-44H,3-16,21-40H2,1-2H3,(H,45,47)(H,46,48)/b19-17+,20-18+
- InChI Key: SEACOSILDQEZMB-XPWSMXQVSA-N
- SMILES: O=C(CCCCCCC/C=C/CCCCCCCC)NCCNCCNCCNC(CCCCCCC/C=C/CCCCCCCC)=O
Computed Properties
- Exact Mass: 674.644
- Monoisotopic Mass: 674.644
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 48
- Rotatable Bond Count: 39
- Complexity: 664
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 82.3A^2
- XLogP3: 13
Experimental Properties
- Density: 0.914
- Boiling Point: 793.4°C at 760 mmHg
- Flash Point: 94.8°C
- Refractive Index: 1.483
9-Octadecenamide,N,N'-[1,2-ethanediylbis(imino-2,1-ethanediyl)]bis- (9CI) Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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