Cas no 39096-14-5 (Acetamide, N-butyl-2,2-dichloro-N-ethyl-)
39096-14-5 structure
Product Name:Acetamide, N-butyl-2,2-dichloro-N-ethyl-
CAS No:39096-14-5
MF:C8H15Cl2NO
MW:212.116800546646
CID:291507
PubChem ID:13324358
Update Time:2025-04-19
Acetamide, N-butyl-2,2-dichloro-N-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-butyl-2,2-dichloro-N-ethyl-
- N-butyl-2,2-dichloro-N-ethylacetamide
- 39096-14-5
- DTXSID30536887
-
- Inchi： 1S/C8H15Cl2NO/c1-3-5-6-11(4-2)8(12)7(9)10/h7H,3-6H2,1-2H3
- InChI Key： IKIWIIFCDHIMAH-UHFFFAOYSA-N
- SMILES： ClC(C(N(CC)CCCC)=O)Cl
Computed Properties
- Exact Mass: 211.0530695g/mol
- Monoisotopic Mass: 211.0530695g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 139
- 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: 2.7
- Topological Polar Surface Area: 20.3?2
Acetamide, N-butyl-2,2-dichloro-N-ethyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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