Cas no 28164-92-3 (triethylammonium fumarate (2:1))
28164-92-3 structure
Product Name:triethylammonium fumarate (2:1)
CAS No:28164-92-3
MF:C16H34N2O4
MW:318.452165126801
CID:1433828
PubChem ID:6441493
Update Time:2025-04-20
triethylammonium fumarate (2:1) Chemical and Physical Properties
Names and Identifiers
-
- triethylammonium fumarate (2:1)
- 2-Butenedioic acid (2E)-, compd. with N,N-diethylethanamine (1:2)
- N,N-diethylethanamine (2E)-but-2-enedioate (2:1)
- (E)-but-2-enedioic acid,N,N-diethylethanamine
- EINECS 248-877-0
- 28164-92-3
-
- Inchi： 1S/2C6H15N.C4H4O4/c2*1-4-7(5-2)6-3;5-3(6)1-2-4(7)8/h2*4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
- InChI Key： PNFDNSSZPUGEPI-WXXKFALUSA-N
- SMILES： OC(/C=C/C(=O)O)=O.N(CC)(CC)CC.N(CC)(CC)CC
Computed Properties
- Exact Mass: 318.25202
- Monoisotopic Mass: 318.25185757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 145
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- PSA: 89.14
triethylammonium fumarate (2:1) Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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