Cas no 101373-15-3 (1(2H)-Quinolinepropanesulfonic acid, 3,4-dihydro-)
101373-15-3 structure
Product Name:1(2H)-Quinolinepropanesulfonic acid, 3,4-dihydro-
CAS No:101373-15-3
MF:C12H17NO3S
MW:255.333282232285
CID:1129071
Update Time:2024-07-27
1(2H)-Quinolinepropanesulfonic acid, 3,4-dihydro- Chemical and Physical Properties
Names and Identifiers
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- 1(2H)-Quinolinepropanesulfonic acid, 3,4-dihydro-
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- Inchi： 1S/C12H17NO3S/c14-17(15,16)10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7H,3-4,6,8-10H2,(H,14,15,16)
- InChI Key： BMQAGEUUFJSCOI-UHFFFAOYSA-N
- SMILES： N1(CCCS(O)(=O)=O)C2=C(C=CC=C2)CCC1
Computed Properties
- Exact Mass: 255.092915g/mol
- Monoisotopic Mass: 255.092915g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 323
- 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
- Molecular Weight: 255.34g/mol
- XLogP3: 1.6
- Topological Polar Surface Area: 70?2
Experimental Properties
- Density: 1.277±0.06 g/cm3(Predicted)
- pka: 1.46±0.50(Predicted)
1(2H)-Quinolinepropanesulfonic acid, 3,4-dihydro- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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