Cas no 102539-73-1 (Cyclohexanecarboxamide,1,3-dimethyl-)
102539-73-1 structure
Product Name:Cyclohexanecarboxamide,1,3-dimethyl-
CAS No:102539-73-1
MF:C9H17NO
MW:155.237382650375
CID:125101
Update Time:2024-03-05
Cyclohexanecarboxamide,1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanecarboxamide,1,3-dimethyl-
- Cyclohexanecarboxamide, 1,3-dimethyl- (6CI)
-
- Inchi： 1S/C9H17NO/c1-7-4-3-5-9(2,6-7)8(10)11/h7H,3-6H2,1-2H3,(H2,10,11)
- InChI Key： GKORCMMPXKSLSA-UHFFFAOYSA-N
- SMILES： C1(C)(C(N)=O)CCCC(C)C1
Computed Properties
- Exact Mass: 155.13111
- Monoisotopic Mass: 155.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.1A^2
Experimental Properties
- PSA: 43.09
Cyclohexanecarboxamide,1,3-dimethyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
102539-73-1 (Cyclohexanecarboxamide,1,3-dimethyl-) Related Products
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