Cas no 61555-48-4 (Acetamide, 2-chloro-N-(1-cyanopropyl)-N-ethyl-)
61555-48-4 structure
Product Name:Acetamide, 2-chloro-N-(1-cyanopropyl)-N-ethyl-
CAS No:61555-48-4
MF:C8H13ClN2O
MW:188.654620885849
CID:474984
PubChem ID:71394640
Update Time:2025-04-19
Acetamide, 2-chloro-N-(1-cyanopropyl)-N-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, 2-chloro-N-(1-cyanopropyl)-N-ethyl-
- 2-chloro-N-(1-cyanopropyl)-N-ethylacetamide
- 61555-48-4
- DTXSID70816317
-
- Inchi： 1S/C8H13ClN2O/c1-3-7(6-10)11(4-2)8(12)5-9/h7H,3-5H2,1-2H3
- InChI Key： NDDLOLMWYPKKEJ-UHFFFAOYSA-N
- SMILES： ClCC(N(CC)C(C#N)CC)=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-cyanopropyl)-N-ethyl- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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