Cas no 647027-81-4 (4-Hexenamide, N-butyl-N-chloro-, (4E)-)
647027-81-4 structure
Product Name:4-Hexenamide, N-butyl-N-chloro-, (4E)-
CAS No:647027-81-4
MF:C10H18ClNO
MW:203.709022045135
CID:417994
PubChem ID:71378989
Update Time:2025-04-19
4-Hexenamide, N-butyl-N-chloro-, (4E)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Hexenamide, N-butyl-N-chloro-, (4E)-
- N-butyl-N-chlorohex-4-enamide
- 647027-81-4
- DTXSID30801582
-
- Inchi： 1S/C10H18ClNO/c1-3-5-7-8-10(13)12(11)9-6-4-2/h3,5H,4,6-9H2,1-2H3
- InChI Key： UHTNUYNRWHCZHT-UHFFFAOYSA-N
- SMILES： ClN(C(CCC=CC)=O)CCCC
Computed Properties
- Exact Mass: 203.10784
- Monoisotopic Mass: 203.1076919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.9
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
4-Hexenamide, N-butyl-N-chloro-, (4E)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
647027-81-4 (4-Hexenamide, N-butyl-N-chloro-, (4E)-) Related Products
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