Cas no 30563-00-9 (1-Octanamine, N,N-dioctyl-, 4-methylbenzenesulfonate)
30563-00-9 structure
Product Name:1-Octanamine, N,N-dioctyl-, 4-methylbenzenesulfonate
CAS No:30563-00-9
MF:C31H59NO3S
MW:525.870068788528
CID:291790
PubChem ID:71360281
Update Time:2025-04-19
1-Octanamine, N,N-dioctyl-, 4-methylbenzenesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 1-Octanamine, N,N-dioctyl-, 4-methylbenzenesulfonate
- N,N-dioctyloctan-1-amine,4-methylbenzenesulfonic acid
- 1-octanamine, N,N-dioctyl-, 4-methylbenzenesulfonate (1:1)
- LogP
- N,N-Dioctyloctan-1-amine 4-methylbenzenesulfonate (1:1)
- 30563-00-9
- DTXSID30784083
- 4-Methylbenzene-1-sulfonic acid--N,N-dioctyloctan-1-amine (1/1)
-
- Inchi： 1S/C24H51N.C7H8O3S/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-24H2,1-3H3;2-5H,1H3,(H,8,9,10)
- InChI Key： KJKNHJNLBSCTCL-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.N(CCCCCCCC)(CCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 525.42187
- Monoisotopic Mass: 525.42156592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 36
- Rotatable Bond Count: 22
- Complexity: 394
- 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: 66?2
Experimental Properties
- PSA: 61.64
1-Octanamine, N,N-dioctyl-, 4-methylbenzenesulfonate Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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