Cas no 819863-18-8 (1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]-)
819863-18-8 structure
Product Name:1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]-
CAS No:819863-18-8
MF:C10H21NO3S
MW:235.343641996384
CID:702141
PubChem ID:16035848
Update Time:2025-04-19
1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]-
- 3-[(1-methylcyclohexyl)amino]propane-1-sulfonic acid
- DTXSID40581161
- SIOWLTTVQDAONL-UHFFFAOYSA-N
- SCHEMBL353831
- 3-[(1-methylcyclohexyl)amino]-1-propanesulfonic acid
- 819863-18-8
-
- Inchi: 1S/C10H21NO3S/c1-10(6-3-2-4-7-10)11-8-5-9-15(12,13)14/h11H,2-9H2,1H3,(H,12,13,14)
- InChI Key: SIOWLTTVQDAONL-UHFFFAOYSA-N
- SMILES: S(CCCNC1(C)CCCCC1)(=O)(=O)O
Computed Properties
- Exact Mass: 235.12421471g/mol
- Monoisotopic Mass: 235.12421471g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 276
- 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: -1.2
- Topological Polar Surface Area: 74.8?2
1-Propanesulfonic acid, 3-[(1-methylcyclohexyl)amino]- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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