Cas no 29243-46-7 (Benzoic acid,4-[(dipropylamino)sulfonyl]-, magnesium salt (2:1))
![Benzoic acid,4-[(dipropylamino)sulfonyl]-, magnesium salt (2:1) structure](https://ossimg.kuujia.com/scimg/29500/29243-46-7x500.png)
29243-46-7 structure
Product Name:Benzoic acid,4-[(dipropylamino)sulfonyl]-, magnesium salt (2:1)
CAS No:29243-46-7
MF:C26H36MgN2O8S2
MW:593.007645606995
CID:285225
PubChem ID:21149418
Update Time:2025-04-19
Benzoic acid,4-[(dipropylamino)sulfonyl]-, magnesium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[(dipropylamino)sulfonyl]-, magnesium salt (2:1)
- magnesium,4-(dipropylsulfamoyl)benzoate
- benzoate, 4-[(dipropylamino)sulfonyl]-, magnesium salt
- Magnesium 4-((dipropylamino)sulphonyl)benzoate
- 29243-46-7
- EINECS 249-532-7
- MAGNESIUM 4-[(DIPROPYLAMINO)SULFONYL]BENZOATE
- NS00083726
- DTXSID60183505
-
- Inchi： 1S/2C13H19NO4S.Mg/c2*1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h2*5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;;+2/p-2
- InChI Key： MPLGKWAFXWWLMP-UHFFFAOYSA-L
- SMILES： S(C1C=CC(C(=O)[O-])=CC=1)(N(CCC)CCC)(=O)=O.S(C1C=CC(C(=O)[O-])=CC=1)(N(CCC)CCC)(=O)=O.[Mg+2]
Computed Properties
- Exact Mass: 592.17648
- Monoisotopic Mass: 592.1763501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 39
- Rotatable Bond Count: 12
- Complexity: 368
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 172?2
Experimental Properties
- PSA: 155.02
Benzoic acid,4-[(dipropylamino)sulfonyl]-, magnesium salt (2:1) Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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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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