Cas no 61555-43-9 (Acetamide, 2-chloro-N-(1-cyanoethyl)-N-propyl-)
61555-43-9 structure
Product Name:Acetamide, 2-chloro-N-(1-cyanoethyl)-N-propyl-
CAS No:61555-43-9
MF:C8H13ClN2O
MW:188.654620885849
CID:474989
PubChem ID:71394644
Update Time:2025-04-19
Acetamide, 2-chloro-N-(1-cyanoethyl)-N-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, 2-chloro-N-(1-cyanoethyl)-N-propyl-
- 2-chloro-N-(1-cyanoethyl)-N-propylacetamide
- 61555-43-9
- DTXSID60816321
-
- Inchi： 1S/C8H13ClN2O/c1-3-4-11(7(2)6-10)8(12)5-9/h7H,3-5H2,1-2H3
- InChI Key： BAHABSZSFIJIDP-UHFFFAOYSA-N
- SMILES： ClCC(N(C(C#N)C)CCC)=O
Computed Properties
- Exact Mass: 188.07179
- Monoisotopic Mass: 188.0716407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.1
Acetamide, 2-chloro-N-(1-cyanoethyl)-N-propyl- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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