Cas no 113841-05-7 (N-[2,3,4,5,6-pentakis(nonanoylamino)phenyl]nonanamide)
![N-[2,3,4,5,6-pentakis(nonanoylamino)phenyl]nonanamide structure](https://ossimg.kuujia.com/scimg/114000/113841-05-7x500.png)
113841-05-7 structure
Product Name:N-[2,3,4,5,6-pentakis(nonanoylamino)phenyl]nonanamide
CAS No:113841-05-7
MF:C60H108N6O6
MW:1009.53613758087
CID:2611743
PubChem ID:13931709
Update Time:2025-04-21
N-[2,3,4,5,6-pentakis(nonanoylamino)phenyl]nonanamide Chemical and Physical Properties
Names and Identifiers
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- N-[2,3,4,5,6-pentakis(nonanoylamino)phenyl]nonanamide
- DTXSID60552797
- N,N',N'',N''',N'''',N'''''-(Benzene-1,2,3,4,5,6-hexayl)hexanonanamide
- 113841-05-7
-
- Inchi： 1S/C60H108N6O6/c1-7-13-19-25-31-37-43-49(67)61-55-56(62-50(68)44-38-32-26-20-14-8-2)58(64-52(70)46-40-34-28-22-16-10-4)60(66-54(72)48-42-36-30-24-18-12-6)59(65-53(71)47-41-35-29-23-17-11-5)57(55)63-51(69)45-39-33-27-21-15-9-3/h7-48H2,1-6H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)(H,65,71)(H,66,72)
- InChI Key： BCKBIKFNWHXALH-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCC)NC1C(=C(C(=C(C=1NC(CCCCCCCC)=O)NC(CCCCCCCC)=O)NC(CCCCCCCC)=O)NC(CCCCCCCC)=O)NC(CCCCCCCC)=O
Computed Properties
- Exact Mass: 1008.83303519Da
- Monoisotopic Mass: 1008.83303519Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 72
- Rotatable Bond Count: 48
- Complexity: 1120
- 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: 18.2
- Topological Polar Surface Area: 175?2
N-[2,3,4,5,6-pentakis(nonanoylamino)phenyl]nonanamide Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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