Cas no 57547-93-0 ( )
structure
Product Name:
CAS No:57547-93-0
MF:C11H25NO2S
MW:235.386702299118
CID:947200
PubChem ID:303061
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N,N-dibutylpropane-1-sulfonamide
- AC1L71X3
- NSC190932
- NSC-190932
- 57547-93-0
- SCHEMBL14228898
- DTXSID30307377
- AKOS010642294
-
-
- Inchi： 1S/C11H25NO2S/c1-4-7-9-12(10-8-5-2)15(13,14)11-6-3/h4-11H2,1-3H3
- InChI Key： ZQDBIONFDMHRKT-UHFFFAOYSA-N
- SMILES： S(CCC)(N(CCCC)CCCC)(=O)=O
Computed Properties
- Exact Mass: 235.16075
- Monoisotopic Mass: 235.16060021g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 224
- 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: 2.9
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 37.38
- LogP: 3.70920
Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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