Cas no 29401-55-6 (3,6,9,12-Tetraazatriacontanesulfonicacid)
29401-55-6 structure
Product Name:3,6,9,12-Tetraazatriacontanesulfonicacid
CAS No:29401-55-6
MF:C26H58N4O3S
MW:506.828726291656
CID:273976
PubChem ID:53439805
Update Time:2025-04-19
3,6,9,12-Tetraazatriacontanesulfonicacid Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,12-Tetraazatriacontanesulfonicacid
- 2-[2-[2-[2-(octadecylamino)ethylamino]ethylamino]ethylamino]ethanesulfonic acid
- 3,6,9,12-Tetraazatriacontane-1-sulfonicacid (8CI,9CI)
- Ethanesulfonic acid, 2-[[2-[[2-[[2-(octadecylamino)ethyl]amino]ethyl]amino]ethyl]amino]-
- Taurine, N-[2-[[2-[[2-(octadecylamino)ethyl]amino]ethyl]amino]ethyl]-
- 3,6,9,12-TETRAAZATRIACONTANE-1-SULFONIC ACID
- DTXSID40702172
- 29401-55-6
-
- Inchi： 1S/C26H58N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-19-20-28-21-22-29-23-24-30-25-26-34(31,32)33/h27-30H,2-26H2,1H3,(H,31,32,33)
- InChI Key： ZBLNQBZJQTZQRN-UHFFFAOYSA-N
- SMILES： S(CCNCCNCCNCCNCCCCCCCCCCCCCCCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 506.42334
- Monoisotopic Mass: 506.42296290g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 29
- Complexity: 487
- 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
- XLogP3: 3.9
- Topological Polar Surface Area: 111?2
Experimental Properties
- PSA: 102.49
3,6,9,12-Tetraazatriacontanesulfonicacid Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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