Cas no 35465-66-8 (dodecylbenzenesulphonic acid, compound with ethylamine (1:1))
35465-66-8 structure
Product Name:dodecylbenzenesulphonic acid, compound with ethylamine (1:1)
CAS No:35465-66-8
MF:C20H37NO3S
MW:371.577685117722
CID:1470507
PubChem ID:169698
Update Time:2025-04-20
dodecylbenzenesulphonic acid, compound with ethylamine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- dodecylbenzenesulphonic acid, compound with ethylamine (1:1)
- Benzenesulfonic acid, dodecyl-, compd. with ethanamine (1:1)
- Ethylamine dodecylbenzenesulfonate
- 2-dodecylbenzenesulfonic acid - ethanamine (1:1)
- 2-dodecylbenzenesulfonic acid,ethanamine
- DTXSID0067923
- 35465-66-8
- EINECS 252-579-6
-
- Inchi： 1S/C18H30O3S.C2H7N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2-3/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2-3H2,1H3
- InChI Key： ZKEZLMBLGVVVBT-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CCCCCCCCCCCC)(=O)(=O)O.NCC
Computed Properties
- Exact Mass: 371.24961
- Monoisotopic Mass: 371.24941522g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 12
- Complexity: 362
- 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: 88.8?2
Experimental Properties
- PSA: 80.39
dodecylbenzenesulphonic acid, compound with ethylamine (1:1) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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