Cas no 819863-19-9 (1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]-)
819863-19-9 structure
Product Name:1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]-
CAS No:819863-19-9
MF:C11H23NO3S
MW:249.370222330093
CID:702140
PubChem ID:16035945
Update Time:2025-04-19
1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]-
- 3-[(1-methylcycloheptyl)amino]propane-1-sulfonic acid
- 819863-19-9
- QXDYMVCHLUHFDU-UHFFFAOYSA-N
- 3-[(1-methylcycloheptyl)amino]-1-propanesulfonic acid
- 3[(1-methylcycloheptyl)amino]-1-propanesulfonic acid
- SCHEMBL354156
- DTXSID40581166
-
- Inchi: 1S/C11H23NO3S/c1-11(7-4-2-3-5-8-11)12-9-6-10-16(13,14)15/h12H,2-10H2,1H3,(H,13,14,15)
- InChI Key: QXDYMVCHLUHFDU-UHFFFAOYSA-N
- SMILES: S(CCCNC1(C)CCCCCC1)(=O)(=O)O
Computed Properties
- Exact Mass: 249.13986477g/mol
- Monoisotopic Mass: 249.13986477g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 287
- 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: -0.7
- Topological Polar Surface Area: 74.8?2
1-Propanesulfonic acid, 3-[(1-methylcycloheptyl)amino]- Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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