Cas no 61555-45-1 (Acetamide, 2-chloro-N-(1-cyanobutyl)-N-methyl-)
61555-45-1 structure
Product Name:Acetamide, 2-chloro-N-(1-cyanobutyl)-N-methyl-
CAS No:61555-45-1
MF:C8H13ClN2O
MW:188.654620885849
CID:474987
PubChem ID:71394642
Update Time:2025-04-19
Acetamide, 2-chloro-N-(1-cyanobutyl)-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, 2-chloro-N-(1-cyanobutyl)-N-methyl-
- 2-chloro-N-(1-cyanobutyl)-N-methylacetamide
- 61555-45-1
- DTXSID90816319
-
- Inchi： 1S/C8H13ClN2O/c1-3-4-7(6-10)11(2)8(12)5-9/h7H,3-5H2,1-2H3
- InChI Key： VMGLDMSTONFXSI-UHFFFAOYSA-N
- SMILES： ClCC(N(C)C(C#N)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-cyanobutyl)-N-methyl- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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