Cas no 5072-54-8 (Ethanaminium,N,N,N-trimethyl-2-(1-oxopropoxy)-)
5072-54-8 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-(1-oxopropoxy)-
Ethanaminium,N,N,N-trimethyl-2-(1-oxopropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,N,N,N-trimethyl-2-(1-oxopropoxy)-
- propionylcholine
- 1-pentanaminium, 2-hydroxy-N,N,N-trimethyl-3-oxo-
- 2-Hydroxy-N,N,N-trimethyl-3-oxopentan-1-aminium
- LogP
- CHOLINE PROPANOATE (ESTER)
- CHEBI:166483
- N,N,N-TRIMETHYL-2-(1-OXOPROPOXY)ETHANAMINIUM
- Ethanaminium, N,N,N-trimethyl-2-(1-oxopropoxy)-
- trimethyl(2-propanoyloxyethyl)azanium
- UNII-RF1RI05V6M
- N,N,N-Trimethyl-2-(propanoyloxy)ethan-1-aminium
- RF1RI05V6M
- trimethyl[2-(propanoyloxy)ethyl]azanium
- SCHEMBL2303835
- PCH
- DTXSID90964965
- Q27894775
- 5072-54-8
-
- Inchi： 1S/C8H18NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
- InChI Key： VVQZRZCFJJZEKN-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 160.13384
- Monoisotopic Mass: 160.134
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 127
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 0.6
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 37.3
Ethanaminium,N,N,N-trimethyl-2-(1-oxopropoxy)- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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