Cas no 57547-85-0 (1H-Azepine,hexahydro-1-(propylsulfonyl)-)
57547-85-0 structure
Product Name:1H-Azepine,hexahydro-1-(propylsulfonyl)-
CAS No:57547-85-0
MF:C9H19NO2S
MW:205.317661523819
CID:378910
PubChem ID:303055
Update Time:2025-04-19
1H-Azepine,hexahydro-1-(propylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine,hexahydro-1-(propylsulfonyl)-
- DTXSID70307371
- 1-propylsulfonylazepane
- AKOS008949487
- NSC190926
- NSC-190926
- 57547-85-0
-
- Inchi： 1S/C9H19NO2S/c1-2-9-13(11,12)10-7-5-3-4-6-8-10/h2-9H2,1H3
- InChI Key： POOOJDNDEWXNMY-UHFFFAOYSA-N
- SMILES： S(CCC)(N1CCCCCC1)(=O)=O
Computed Properties
- Exact Mass: 205.11377
- Monoisotopic Mass: 205.114
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 223
- 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: 1.6
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 1.1
- Boiling Point: 306.9°C at 760 mmHg
- Flash Point: 139.4°C
- Refractive Index: 1.498
- PSA: 37.38
1H-Azepine,hexahydro-1-(propylsulfonyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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