Cas no 5397-39-7 (2-chloro-n-(2-ethylbutyl)acetamide)
5397-39-7 structure
Product Name:2-chloro-n-(2-ethylbutyl)acetamide
CAS No:5397-39-7
MF:C8H16ClNO
MW:177.671741485596
CID:1586344
PubChem ID:220786
Update Time:2025-04-21
2-chloro-n-(2-ethylbutyl)acetamide Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-n-(2-ethylbutyl)acetamide
- NSC4087
- AC1Q3TMZ
- AC1L59BO
- NSC-4087
- AR-1E0576
- 2-chloranyl-N-(2-ethylbutyl)ethanamide
- A833039
- NSC4087; AC1Q3TMZ; AC1L59BO; NSC-4087; AR-1E0576; 2-chloranyl-N-(2-ethylbutyl)ethanamide; A833039;
- 5397-39-7
- DTXSID20277772
-
- Inchi： 1S/C8H16ClNO/c1-3-7(4-2)6-10-8(11)5-9/h7H,3-6H2,1-2H3,(H,10,11)
- InChI Key： XZABKLZNTOFPGH-UHFFFAOYSA-N
- SMILES： ClCC(NCC(CC)CC)=O
Computed Properties
- Exact Mass: 177.09218
- Monoisotopic Mass: 177.092042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 113
- 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
- Topological Polar Surface Area: 29.1
- XLogP3: 2.2
Experimental Properties
- Density: 0.996
- Boiling Point: 290.9°C at 760 mmHg
- Flash Point: 129.7°C
- Refractive Index: 1.446
- PSA: 29.1
2-chloro-n-(2-ethylbutyl)acetamide Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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