Cas no 139653-33-1 (1-Dodecanaminium, N,N-didodecyl-N-methyl-, carbonate (1:1))
139653-33-1 structure
Product Name:1-Dodecanaminium, N,N-didodecyl-N-methyl-, carbonate (1:1)
CAS No:139653-33-1
MF:C38H79NO3
MW:598.038772821426
CID:1277573
PubChem ID:22364247
Update Time:2025-04-20
1-Dodecanaminium, N,N-didodecyl-N-methyl-, carbonate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Dodecanaminium, N,N-didodecyl-N-methyl-, carbonate (1:1)
- hydrogen carbonate,tridodecyl(methyl)azanium
- DTXSID20625214
- 139653-33-1
- SCHEMBL7573774
- N,N-Didodecyl-N-methyldodecan-1-aminium hydrogen carbonate
-
- Inchi： 1S/C37H78N.CH2O3/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;2-1(3)4/h5-37H2,1-4H3;(H2,2,3,4)/q+1;/p-1
- InChI Key： UHZSJDRGGRRIMH-UHFFFAOYSA-M
- SMILES： OC(=O)[O-].[N+](C)(CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 597.60637
- Monoisotopic Mass: 597.60599538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 42
- Rotatable Bond Count: 33
- Complexity: 382
- 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: 60.4?2
Experimental Properties
- PSA: 60.36
1-Dodecanaminium, N,N-didodecyl-N-methyl-, carbonate (1:1) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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