Cas no 128-55-2 (Benzenesulfonic acid,2,6-diamino-4-methyl-)
128-55-2 structure
Product Name:Benzenesulfonic acid,2,6-diamino-4-methyl-
CAS No:128-55-2
MF:C7H10N2O3S
MW:202.230900287628
CID:146905
PubChem ID:222229
Update Time:2025-04-19
Benzenesulfonic acid,2,6-diamino-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,2,6-diamino-4-methyl-
- 2,6-diamino-4-methylbenzenesulfonic acid
- SCHEMBL17878197
- 128-55-2
- NSC7836
- DTXSID60278506
- Benzenesulfonic acid,6-diamino-4-methyl-
- NSC-7836
- 3,5-Diamino-p-toluolsulfonsaure
- 2,6-Diamino-p-toluenesulfonic acid
- p-Toluenesulfonic acid,6-diamino-
-
- Inchi: 1S/C7H10N2O3S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)
- InChI Key: MNAWGAORJBFMTQ-UHFFFAOYSA-N
- SMILES: S(C1C(=CC(C)=CC=1N)N)(=O)(=O)O
Computed Properties
- Exact Mass: 202.0413
- Monoisotopic Mass: 202.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 260
- 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: 0.8
- Topological Polar Surface Area: 115?2
Experimental Properties
- Density: 1.52
- Refractive Index: 1.657
- PSA: 106.41
Benzenesulfonic acid,2,6-diamino-4-methyl- Related Literature
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Parul Chauhan,Makthala Ravi,Shikha Singh,Prashant Prajapati,Prem P. Yadav RSC Adv. 2016 6 109
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Vimal Parekh,James A. Ramsden,Martin Wills Catal. Sci. Technol. 2012 2 406
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Adeline Y. Lukmantara,Danuta S. Kalinowski,Naresh Kumar,Des R. Richardson Org. Biomol. Chem. 2013 11 6414
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4. Novel chemoselective and diastereoselective iron(III)-catalysed Michael reactions of 1,3-dicarbonyl compounds and enonesJens Christoffers J. Chem. Soc. Perkin Trans. 1 1997 3141
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Katherine M. Digianantonio,Stephen A. Glover,Jennifer P. Johns,Adam A. Rosser Org. Biomol. Chem. 2011 9 4116
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