Cas no 80822-87-3 (Benzenesulfonic acid,5-amino-2-dodecyl-)
80822-87-3 structure
Product Name:Benzenesulfonic acid,5-amino-2-dodecyl-
CAS No:80822-87-3
MF:C18H31NO3S
MW:341.508644342422
CID:724146
PubChem ID:3018963
Update Time:2025-04-19
Benzenesulfonic acid,5-amino-2-dodecyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,5-amino-2-dodecyl-
- 5-amino-2-dodecylbenzenesulfonic acid
- 5-amino-2-dodecylbenzenesulphonic acid
- 5-Amino-2-dodecylbenzene-1-sulfonic acid
- SCHEMBL156572
- 80822-87-3
- NS00060896
- EINECS 279-574-1
- DTXSID801001542
-
- Inchi： 1S/C18H31NO3S/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)
- InChI Key： BGUREQRVHBTMGK-UHFFFAOYSA-N
- SMILES： S(C1C=C(C=CC=1CCCCCCCCCCCC)N)(=O)(=O)O
Computed Properties
- Exact Mass: 341.202465
- Monoisotopic Mass: 341.202465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 12
- Complexity: 392
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 6.2
- Topological Polar Surface Area: 88.8
Experimental Properties
- Density: 1.093
- Refractive Index: 1.528
Benzenesulfonic acid,5-amino-2-dodecyl- Related Literature
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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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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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