Cas no 71411-70-6 (Benzenesulfonamide,5-amino-N-butyl-2-methoxy-)
71411-70-6 structure
Product Name:Benzenesulfonamide,5-amino-N-butyl-2-methoxy-
CAS No:71411-70-6
MF:C11H18N2O3S
MW:258.337221622467
CID:567453
PubChem ID:117144
Update Time:2025-04-19
Benzenesulfonamide,5-amino-N-butyl-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,5-amino-N-butyl-2-methoxy-
- 5-amino-N-butyl-2-methoxybenzenesulfonamide
- 5-amino-N-butyl-2-methoxybenzenesulphonamide
- NS00037196
- 71411-70-6
- DTXSID00221596
- EINECS 275-374-3
-
- Inchi: 1S/C11H18N2O3S/c1-3-4-7-13-17(14,15)11-8-9(12)5-6-10(11)16-2/h5-6,8,13H,3-4,7,12H2,1-2H3
- InChI Key: UDWDZYCRDRQOCJ-UHFFFAOYSA-N
- SMILES: S(C1C=C(C=CC=1OC)N)(NCCCC)(=O)=O
Computed Properties
- Exact Mass: 258.10394
- Monoisotopic Mass: 258.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 313
- 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: 1.4
- Topological Polar Surface Area: 89.8?2
Experimental Properties
- Density: 1.196
- Boiling Point: 442.9°C at 760 mmHg
- Flash Point: 221.6°C
- Refractive Index: 1.54
- PSA: 81.42
Benzenesulfonamide,5-amino-N-butyl-2-methoxy- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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