Cas no 61797-84-0 (Nonanamide, N-(2-chloroethyl)-N-[2-[(1-oxononyl)amino]ethyl]-)
![Nonanamide, N-(2-chloroethyl)-N-[2-[(1-oxononyl)amino]ethyl]- structure](https://ossimg.kuujia.com/scimg/62000/61797-84-0x500.png)
61797-84-0 structure
Product Name:Nonanamide, N-(2-chloroethyl)-N-[2-[(1-oxononyl)amino]ethyl]-
CAS No:61797-84-0
MF:C22H43ClN2O2
MW:403.04202580452
CID:465844
PubChem ID:71392025
Update Time:2025-04-19
Nonanamide, N-(2-chloroethyl)-N-[2-[(1-oxononyl)amino]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Nonanamide, N-(2-chloroethyl)-N-[2-[(1-oxononyl)amino]ethyl]-
- N-[2-[2-chloroethyl(nonanoyl)amino]ethyl]nonanamide
- N-(2-Chloroethyl)-N-[2-(nonanoylamino)ethyl]nonanamide
- 61797-84-0
- DTXSID30813847
-
- Inchi： 1S/C22H43ClN2O2/c1-3-5-7-9-11-13-15-21(26)24-18-20-25(19-17-23)22(27)16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,24,26)
- InChI Key： IHTUDJFFXZCKJI-UHFFFAOYSA-N
- SMILES： ClCCN(C(CCCCCCCC)=O)CCNC(CCCCCCCC)=O
Computed Properties
- Exact Mass: 402.30159
- Monoisotopic Mass: 402.3013063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 19
- Complexity: 364
- 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: 6.7
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- PSA: 49.41
Nonanamide, N-(2-chloroethyl)-N-[2-[(1-oxononyl)amino]ethyl]- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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