Cas no 14674-12-5 (1H-Azepine,hexahydro-1-(pentylsulfonyl)-)
14674-12-5 structure
Product Name:1H-Azepine,hexahydro-1-(pentylsulfonyl)-
CAS No:14674-12-5
MF:C11H23NO2S
MW:233.370822191238
CID:218950
PubChem ID:303125
Update Time:2025-04-19
1H-Azepine,hexahydro-1-(pentylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine,hexahydro-1-(pentylsulfonyl)-
- 1-pentylsulfonylazepane
- 1-(pentane-1-sulfonyl)-azepane
- AC1L722F
- NSC191009
- Pentansulfonsaeure-hexamethylenimid
- NSC-191009
- DTXSID70307417
- 14674-12-5
-
- Inchi： 1S/C11H23NO2S/c1-2-3-8-11-15(13,14)12-9-6-4-5-7-10-12/h2-11H2,1H3
- InChI Key： INYXBLAUCDUXJM-UHFFFAOYSA-N
- SMILES： S(CCCCC)(N1CCCCCC1)(=O)=O
Computed Properties
- Exact Mass: 233.14509
- Monoisotopic Mass: 233.145
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 248
- 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: 2.5
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 1.07
- Boiling Point: 337.9°C at 760 mmHg
- Flash Point: 158.1°C
- Refractive Index: 1.495
- PSA: 37.38
- LogP: 3.40110
1H-Azepine,hexahydro-1-(pentylsulfonyl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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