Cas no 13880-42-7 (Benzamide, N,N'-1,12-dodecanediylbis-)
13880-42-7 structure
Product Name:Benzamide, N,N'-1,12-dodecanediylbis-
CAS No:13880-42-7
MF:C26H36N2O2
MW:408.576247215271
CID:1266062
PubChem ID:4452748
Update Time:2025-04-20
Benzamide, N,N'-1,12-dodecanediylbis- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N,N'-1,12-dodecanediylbis-
- N-(12-benzamidododecyl)benzamide
- DTXSID80403439
- 13880-42-7
- SCHEMBL9489756
- AKOS024381689
-
- Inchi： 1S/C26H36N2O2/c29-25(23-17-11-9-12-18-23)27-21-15-7-5-3-1-2-4-6-8-16-22-28-26(30)24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2,(H,27,29)(H,28,30)
- InChI Key： UWERUMFHBSULOR-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)NCCCCCCCCCCCCNC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 408.27788
- Monoisotopic Mass: 408.277678395g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 15
- Complexity: 412
- 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: 5.7
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
Benzamide, N,N'-1,12-dodecanediylbis- Related Literature
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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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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
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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