Cas no 69576-93-8 (1-Propanaminium, N,N,N-tripropyl-, acetate)
69576-93-8 structure
Product Name:1-Propanaminium, N,N,N-tripropyl-, acetate
CAS No:69576-93-8
MF:C14H31NO2
MW:245.401444673538
CID:391627
PubChem ID:9964835
Update Time:2025-04-19
1-Propanaminium, N,N,N-tripropyl-, acetate Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium, N,N,N-tripropyl-, acetate
- tetrapropylazanium,acetate
- DTXSID10433421
- SCHEMBL109162
- 69576-93-8
- tetra-n-propylammonium acetate
-
- Inchi： 1S/C12H28N.C2H4O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2(3)4/h5-12H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- InChI Key： PXJUBOLFJDSAQQ-UHFFFAOYSA-M
- SMILES： [O-]C(C)=O.[N+](CCC)(CCC)(CCC)CCC
Computed Properties
- Exact Mass: 245.23563
- Monoisotopic Mass: 245.235479232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 106
- 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: 40.1?2
Experimental Properties
- PSA: 40.13
1-Propanaminium, N,N,N-tripropyl-, acetate Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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