Cas no 94199-51-6 (Benzenesulfonic acid,5-amino-2-dodecyl-, sodium salt (1:1))
94199-51-6 structure
Product Name:Benzenesulfonic acid,5-amino-2-dodecyl-, sodium salt (1:1)
CAS No:94199-51-6
MF:C18H30NNaO3S
MW:363.490475177765
CID:812321
PubChem ID:23662631
Update Time:2025-04-19
Benzenesulfonic acid,5-amino-2-dodecyl-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,5-amino-2-dodecyl-, sodium salt (1:1)
- sodium 5-amino-2-dodecylbenzenesulphonate
- sodium,5-amino-2-dodecylbenzenesulfonate
- DTXSID30240937
- NS00093421
- EINECS 303-424-7
- 94199-51-6
- LYG4H4988D
- Benzenesulfonic acid, 5-amino-2-dodecyl-, sodium salt
- SODIUM 5-AMINO-2-DODECYLBENZENESULFONATE
- Benzenesulfonic acid, 5-amino-2-dodecyl-, sodium salt (1:1)
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- Inchi： 1S/C18H31NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)23(20,21)22;/h13-15H,2-12,19H2,1H3,(H,20,21,22);/q;+1/p-1
- InChI Key： YWFTUCSGHSJLFY-UHFFFAOYSA-M
- SMILES： S(C1C=C(C=CC=1CCCCCCCCCCCC)N)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 363.18440927g/mol
- Monoisotopic Mass: 363.18440927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 12
- Complexity: 398
- 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: 91.6?2
Benzenesulfonic acid,5-amino-2-dodecyl-, sodium salt (1:1) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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