Cas no 61555-54-2 (Acetamide, N-butyl-2-chloro-N-(1-cyanoethyl)-)
61555-54-2 structure
Product Name:Acetamide, N-butyl-2-chloro-N-(1-cyanoethyl)-
CAS No:61555-54-2
MF:C9H15ClN2O
MW:202.681201219559
CID:474978
PubChem ID:71394634
Update Time:2025-04-19
Acetamide, N-butyl-2-chloro-N-(1-cyanoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-butyl-2-chloro-N-(1-cyanoethyl)-
- N-butyl-2-chloro-N-(1-cyanoethyl)acetamide
- 61555-54-2
- DTXSID10816311
-
- Inchi： 1S/C9H15ClN2O/c1-3-4-5-12(8(2)7-11)9(13)6-10/h8H,3-6H2,1-2H3
- InChI Key： JTLHXQUGIOKWJH-UHFFFAOYSA-N
- SMILES： ClCC(N(C(C#N)C)CCCC)=O
Computed Properties
- Exact Mass: 202.08745
- Monoisotopic Mass: 202.0872908g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 209
- 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: 1.8
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.1
Acetamide, N-butyl-2-chloro-N-(1-cyanoethyl)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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