Cas no 316364-93-9 (2-chloro-N-(1,3,3,5,5-pentamethylcyclohexyl)acetamide)
316364-93-9 structure
Product Name:2-chloro-N-(1,3,3,5,5-pentamethylcyclohexyl)acetamide
CAS No:316364-93-9
MF:C13H24ClNO
MW:245.788763046265
CID:1447938
PubChem ID:15892719
Update Time:2025-04-20
2-chloro-N-(1,3,3,5,5-pentamethylcyclohexyl)acetamide Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-N-(1,3,3,5,5-pentamethylcyclohexyl)acetamide
- acetamide, 2-chloro-N-(1,3,3,5,5-pentamethylcyclohexyl)-
- LogP
- N-Chloroacetyl-1,3,3,5,5-pentamethylcyclohexanamine
- DTXSID701212772
- SCHEMBL931774
- 316364-93-9
-
- Inchi： 1S/C13H24ClNO/c1-11(2)7-12(3,4)9-13(5,8-11)15-10(16)6-14/h6-9H2,1-5H3,(H,15,16)
- InChI Key： JRXWNWFCJXFCAQ-UHFFFAOYSA-N
- SMILES： ClCC(NC1(C)CC(C)(C)CC(C)(C)C1)=O
Computed Properties
- Exact Mass: 245.15482
- Monoisotopic Mass: 245.1546421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 268
- 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
- XLogP3: 3.8
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
2-chloro-N-(1,3,3,5,5-pentamethylcyclohexyl)acetamide Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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