Cas no 53875-77-7 (1-Propanaminium,N,N,N-triethyl-3-hydroxy-, iodide (1:1))
53875-77-7 structure
Product Name:1-Propanaminium,N,N,N-triethyl-3-hydroxy-, iodide (1:1)
CAS No:53875-77-7
MF:C9H22INO
MW:287.181555271149
CID:371731
PubChem ID:193911
Update Time:2025-04-19
1-Propanaminium,N,N,N-triethyl-3-hydroxy-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,N,N,N-triethyl-3-hydroxy-, iodide (1:1)
- N,N,N-triethylhomocholine
- triethyl(3-hydroxypropyl)azanium,iodide
- n,n,n-triethyl-3-hydroxypropan-1-aminium iodide
- SCHEMBL14777716
- DTXSID10968647
- 1-Propanaminium, N,N,N-triethyl-3-hydroxy-, (11beta,16alpha)-
- TEHC
- triethyl(3-hydroxypropyl)azanium;iodide
- 53875-77-7
-
- Inchi： 1S/C9H22NO.HI/c1-4-10(5-2,6-3)8-7-9-11;/h11H,4-9H2,1-3H3;1H/q+1;/p-1
- InChI Key： HASPCWGWQAHGOM-UHFFFAOYSA-M
- SMILES： [I-].OCCC[N+](CC)(CC)CC
Computed Properties
- Exact Mass: 264.902
- Monoisotopic Mass: 287.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 81.3
- 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: 20.2?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 19.9
1-Propanaminium,N,N,N-triethyl-3-hydroxy-, iodide (1:1) Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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