Cas no 51009-80-4 (Propanoic acid, compd. with N,N-diethylethanamine (1:1))
51009-80-4 structure
Product Name:Propanoic acid, compd. with N,N-diethylethanamine (1:1)
CAS No:51009-80-4
MF:C9H21NO2
MW:175.26854300499
CID:363594
PubChem ID:71366369
Update Time:2025-04-19
Propanoic acid, compd. with N,N-diethylethanamine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, compd. with N,N-diethylethanamine (1:1)
- N,N-diethylethanamine,propanoic acid
- Propanoic acid--N,N-diethylethanamine (1/1)
- DTXSID90789731
- 51009-80-4
-
- Inchi： 1S/C6H15N.C3H6O2/c1-4-7(5-2)6-3;1-2-3(4)5/h4-6H2,1-3H3;2H2,1H3,(H,4,5)
- InChI Key： JYFPFWCWXLBYDY-UHFFFAOYSA-N
- SMILES： OC(CC)=O.N(CC)(CC)CC
Computed Properties
- Exact Mass: 175.15733
- Monoisotopic Mass: 175.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 65.8
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.54
Propanoic acid, compd. with N,N-diethylethanamine (1:1) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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