Cas no 52030-06-5 (2-chloro-N-(1-methyl-2-propylpentyl)acetamide)
52030-06-5 structure
Product Name:2-chloro-N-(1-methyl-2-propylpentyl)acetamide
CAS No:52030-06-5
MF:C11H22ClNO
MW:219.751482486725
CID:1575210
PubChem ID:3040307
Update Time:2025-04-21
2-chloro-N-(1-methyl-2-propylpentyl)acetamide Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-N-(1-methyl-2-propylpentyl)acetamide
- 2-chloro-N-(3-propylhexan-2-yl)acetamide
- Acetamide, 2-chloro-(3-propyl-2-hexyl)-
- DB-303249
- 2-Chloro-N-(1-methyl -2-propylpentyl )acetamide
- BRN 3046459
- Acetamide, 2-chloro-N-(1-methyl-2-propylpentyl)-
- 2-Chloro-N-(1-methyl-2-propylpentyl) acetamide
- DTXSID20966371
- 52030-06-5
- 2-Chloro-N-(3-propylhexan-2-yl)ethanimidic acid
-
- Inchi： 1S/C11H22ClNO/c1-4-6-10(7-5-2)9(3)13-11(14)8-12/h9-10H,4-8H2,1-3H3,(H,13,14)
- InChI Key： XSCQBMDVQIGAMV-UHFFFAOYSA-N
- SMILES： ClCC(NC(C)C(CCC)CCC)=O
Computed Properties
- Exact Mass: 219.13916
- Monoisotopic Mass: 219.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 155
- 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: 3.7
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 0.963
- Boiling Point: 331.3°C at 760 mmHg
- Flash Point: 154.2°C
- Refractive Index: 1.45
- PSA: 29.1
2-chloro-N-(1-methyl-2-propylpentyl)acetamide Related Literature
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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